##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL
_chemical_name_systematic
;
Tetra-n-butlyammonium
μ-bromo-di-μ-cyclohexanethiolato-bis[tricarbonylmolybdenum(I)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H36 N +, C18 H22 Br Mo2 O6 S2 -'
_chemical_formula_sum     'C34 H58 Br Mo2 N O6 S2'
_chemical_formula_iupac     '(C16 H36 N) [Mo2 Br (C6 H11 S)2 (C O)6]'
_chemical_formula_weight     912.72
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     10.738(5)
_cell_length_b     19.953(10)
_cell_length_c     19.498(9)
_cell_angle_alpha     90.00
_cell_angle_beta     91.863(5)
_cell_angle_gamma     90.00
_cell_volume     4175(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9089
_cell_measurement_theta_min     2.9999
_cell_measurement_theta_max     27.4835
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     gray
_exptl_crystal_size_max     0.70
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.25
_exptl_crystal_density_diffrn     1.452
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1872
_exptl_absorpt_coefficient_mu     1.696
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(CrystalClear; Rigaku/MSC, 2004)'
_exptl_absorpt_correction_T_min     0.529
_exptl_absorpt_correction_T_max     0.654
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'rotating-anode generator'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku Mercury CCD'
_diffrn_measurement_method     'ω scans and φ'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     31610
_diffrn_reflns_av_R_equivalents     0.0193
_diffrn_reflns_av_sigmaI/netI     0.0219
_diffrn_reflns_theta_min     3.00
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -25
_diffrn_reflns_limit_k_max     25
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     23
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     9485
_reflns_number_gt     8809
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0312
_refine_ls_R_factor_gt     0.0282
_refine_ls_wR_factor_gt     0.0725
_refine_ls_wR_factor_ref     0.0746
_refine_ls_goodness_of_fit_ref     1.040
_refine_ls_restrained_S_all     1.040
_refine_ls_number_reflns     9485
_refine_ls_number_parameters     419
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0445P)²+2.1794P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.003
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.189
_refine_diff_density_min     -0.781
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mo' 'Mo' -1.6832 0.6857
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku/MSC, 2004)'
_computing_cell_refinement     'CrystalClear'
_computing_data_reduction     'CrystalClear'
_computing_structure_solution     'SHELXTL (Siemens, 1994)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Mo1 0.433032(15) 0.129191(8) 0.694598(8) 0.01657(5) Uani d . 1 . . Mo
    Mo2 0.694062(15) 0.132085(8) 0.669002(8) 0.01716(5) Uani d . 1 . . Mo
    N1 0.58727(14) 0.17065(8) 0.37122(8) 0.0174(3) Uani d . 1 . . N
    Br1 0.53567(2) 0.047060(10) 0.595848(10) 0.02411(6) Uani d . 1 . . Br
    S1 0.53528(4) 0.20783(2) 0.61718(2) 0.01760(9) Uani d . 1 . . S
    S2 0.59670(5) 0.06693(2) 0.75995(2) 0.01920(10) Uani d . 1 . . S
    O1 0.17886(16) 0.18924(9) 0.63501(10) 0.0435(4) Uani d . 1 . . O
    O2 0.39612(15) 0.23313(8) 0.80949(8) 0.0307(3) Uani d . 1 . . O
    O3 0.24745(16) 0.02805(8) 0.76300(9) 0.0374(4) Uani d . 1 . . O
    O4 0.80670(15) 0.23974(8) 0.76668(8) 0.0344(4) Uani d . 1 . . O
    O5 0.9238(2) 0.03677(14) 0.70330(13) 0.0804(9) Uani d . 1 . . O
    O6 0.86373(16) 0.19179(10) 0.55445(9) 0.0400(4) Uani d . 1 . . O
    C1 0.2726(2) 0.16631(11) 0.65283(11) 0.0268(4) Uani d . 1 . . C
    C2 0.40931(18) 0.19357(10) 0.76665(10) 0.0214(4) Uani d . 1 . . C
    C3 0.3164(2) 0.06361(10) 0.73843(11) 0.0238(4) Uani d . 1 . . C
    C4 0.76612(18) 0.19845(10) 0.72964(10) 0.0224(4) Uani d . 1 . . C
    C5 0.8400(2) 0.07007(14) 0.69029(13) 0.0411(6) Uani d . 1 . . C
    C6 0.8015(2) 0.16914(11) 0.59459(11) 0.0254(4) Uani d . 1 . . C
    C7 0.54608(18) 0.29252(9) 0.65473(10) 0.0198(4) Uani d . 1 . . C
    H7A 0.5639 0.2886 0.7042 0.024 Uiso calc R 1 . . H
    C8 0.6518(2) 0.33034(10) 0.62215(13) 0.0308(5) Uani d . 1 . . C
    H8A 0.6372 0.3322 0.5728 0.037 Uiso calc R 1 . . H
    H8B 0.7296 0.3068 0.6312 0.037 Uiso calc R 1 . . H
    C9 0.6617(2) 0.40191(11) 0.65102(18) 0.0464(7) Uani d . 1 . . C
    H9A 0.6835 0.4000 0.6996 0.056 Uiso calc R 1 . . H
    H9B 0.7273 0.4259 0.6283 0.056 Uiso calc R 1 . . H
    C10 0.5383(2) 0.43958(11) 0.64030(16) 0.0396(6) Uani d . 1 . . C
    H10A 0.5448 0.4834 0.6616 0.048 Uiso calc R 1 . . H
    H10B 0.5210 0.4459 0.5916 0.048 Uiso calc R 1 . . H
    C11 0.4323(2) 0.40082(11) 0.67130(13) 0.0322(5) Uani d . 1 . . C
    H11A 0.3545 0.4242 0.6616 0.039 Uiso calc R 1 . . H
    H11B 0.4453 0.3990 0.7207 0.039 Uiso calc R 1 . . H
    C12 0.42259(19) 0.32947(10) 0.64308(12) 0.0259(4) Uani d . 1 . . C
    H12A 0.3569 0.3056 0.6658 0.031 Uiso calc R 1 . . H
    H12B 0.4014 0.3309 0.5944 0.031 Uiso calc R 1 . . H
    C13 0.62353(18) 0.10496(10) 0.84543(10) 0.0195(4) Uani d . 1 . . C
    H13A 0.6120 0.1536 0.8419 0.023 Uiso calc R 1 . . H
    C14 0.5279(2) 0.07637(12) 0.89380(11) 0.0291(5) Uani d . 1 . . C
    H14A 0.5343 0.0279 0.8946 0.035 Uiso calc R 1 . . H
    H14B 0.4447 0.0881 0.8772 0.035 Uiso calc R 1 . . H
    C15 0.5497(2) 0.10391(14) 0.96664(11) 0.0374(6) Uani d . 1 . . C
    H15A 0.5348 0.1519 0.9665 0.045 Uiso calc R 1 . . H
    H15B 0.4911 0.0833 0.9970 0.045 Uiso calc R 1 . . H
    C16 0.6820(2) 0.09008(15) 0.99336(12) 0.0407(6) Uani d . 1 . . C
    H16A 0.6944 0.1102 1.0383 0.049 Uiso calc R 1 . . H
    H16B 0.6942 0.0421 0.9981 0.049 Uiso calc R 1 . . H
    C17 0.7770(2) 0.11818(13) 0.94511(12) 0.0322(5) Uani d . 1 . . C
    H17A 0.8602 0.1065 0.9618 0.039 Uiso calc R 1 . . H
    H17B 0.7706 0.1667 0.9441 0.039 Uiso calc R 1 . . H
    C18 0.7556(2) 0.09040(11) 0.87215(11) 0.0261(4) Uani d . 1 . . C
    H18A 0.8148 0.1106 0.8418 0.031 Uiso calc R 1 . . H
    H18B 0.7696 0.0424 0.8724 0.031 Uiso calc R 1 . . H
    C19 0.49736(18) 0.15693(10) 0.42810(10) 0.0211(4) Uani d . 1 . . C
    H19A 0.5258 0.1809 0.4690 0.025 Uiso calc R 1 . . H
    H19B 0.4995 0.1094 0.4387 0.025 Uiso calc R 1 . . H
    C20 0.3628(2) 0.17712(12) 0.41103(11) 0.0286(5) Uani d . 1 . . C
    H20A 0.3606 0.2234 0.3958 0.034 Uiso calc R 1 . . H
    H20B 0.3300 0.1494 0.3738 0.034 Uiso calc R 1 . . H
    C21 0.2822(2) 0.16942(16) 0.47210(13) 0.0418(6) Uani d . 1 . . C
    H21A 0.3089 0.2013 0.5071 0.050 Uiso calc R 1 . . H
    H21B 0.2935 0.1248 0.4910 0.050 Uiso calc R 1 . . H
    C22 0.1453(2) 0.18033(16) 0.45476(15) 0.0470(7) Uani d . 1 . . C
    H22A 0.0982 0.1748 0.4954 0.070 Uiso calc R 1 . . H
    H22B 0.1178 0.1483 0.4209 0.070 Uiso calc R 1 . . H
    H22C 0.1332 0.2248 0.4370 0.070 Uiso calc R 1 . . H
    C23 0.59196(19) 0.24496(9) 0.35372(10) 0.0203(4) Uani d D 1 . . C
    H23A 0.5780 0.2601 0.3090 0.024 Uiso calc RD 1 . . H
    C24 0.6204(2) 0.29340(10) 0.41247(11) 0.0243(4) Uani d . 1 . . C
    H24A 0.6966 0.2801 0.4369 0.029 Uiso calc R 1 . . H
    H24B 0.5531 0.2928 0.4445 0.029 Uiso calc R 1 . . H
    C25 0.6349(2) 0.36371(10) 0.38296(12) 0.0283(5) Uani d . 1 . . C
    H25A 0.6999 0.3630 0.3495 0.034 Uiso calc R 1 . . H
    H25B 0.5578 0.3764 0.3592 0.034 Uiso calc R 1 . . H
    C26 0.6674(2) 0.41628(11) 0.43723(13) 0.0345(5) Uani d . 1 . . C
    H26A 0.6753 0.4593 0.4157 0.052 Uiso calc R 1 . . H
    H26B 0.7448 0.4046 0.4602 0.052 Uiso calc R 1 . . H
    H26C 0.6027 0.4181 0.4700 0.052 Uiso calc R 1 . . H
    C27 0.54186(18) 0.13304(9) 0.30684(10) 0.0189(4) Uani d . 1 . . C
    H27A 0.5196 0.0878 0.3199 0.023 Uiso calc R 1 . . H
    H27B 0.4668 0.1547 0.2889 0.023 Uiso calc R 1 . . H
    C28 0.6348(2) 0.12913(10) 0.24977(11) 0.0245(4) Uani d . 1 . . C
    H28A 0.7017 0.0985 0.2627 0.029 Uiso calc R 1 . . H
    H28B 0.6707 0.1730 0.2421 0.029 Uiso calc R 1 . . H
    C29 0.5673(2) 0.10435(11) 0.18366(10) 0.0260(4) Uani d . 1 . . C
    H29A 0.6281 0.0854 0.1534 0.031 Uiso calc R 1 . . H
    H29B 0.5096 0.0690 0.1952 0.031 Uiso calc R 1 . . H
    C30 0.4965(2) 0.15972(14) 0.14602(12) 0.0380(6) Uani d . 1 . . C
    H30A 0.4563 0.1418 0.1053 0.057 Uiso calc R 1 . . H
    H30B 0.5535 0.1944 0.1336 0.057 Uiso calc R 1 . . H
    H30C 0.4349 0.1780 0.1753 0.057 Uiso calc R 1 . . H
    C31 0.71743(18) 0.14790(10) 0.39434(10) 0.0213(4) Uani d . 1 . . C
    H31A 0.7432 0.1736 0.4346 0.026 Uiso calc R 1 . . H
    H31B 0.7745 0.1584 0.3583 0.026 Uiso calc R 1 . . H
    C32 0.72985(19) 0.07366(10) 0.41149(11) 0.0242(4) Uani d . 1 . . C
    H32A 0.6871 0.0473 0.3762 0.029 Uiso calc R 1 . . H
    H32B 0.6913 0.0646 0.4548 0.029 Uiso calc R 1 . . H
    C33 0.8670(2) 0.05365(11) 0.41629(12) 0.0288(5) Uani d . 1 . . C
    H33A 0.9043 0.0615 0.3724 0.035 Uiso calc R 1 . . H
    H33B 0.9101 0.0815 0.4502 0.035 Uiso calc R 1 . . H
    C34 0.8834(2) -0.01980(12) 0.43608(14) 0.0403(6) Uani d . 1 . . C
    H34A 0.9705 -0.0306 0.4387 0.060 Uiso calc R 1 . . H
    H34B 0.8422 -0.0476 0.4021 0.060 Uiso calc R 1 . . H
    H34C 0.8477 -0.0275 0.4799 0.060 Uiso calc R 1 . . H
    H23B 0.6630(18) 0.2472(12) 0.3244(11) 0.026(6) Uiso d D 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate
(isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Mo1 C2 . 1.927(2) Yes
    Mo1 C3 . 2.020(2) Yes
    Mo1 C1 . 2.022(2) Yes
    Mo1 S1 . 2.4605(9) Yes
    Mo1 S2 . 2.4718(9) Yes
    Mo1 Br1 . 2.7831(9) Yes
    Mo1 Mo2 . 2.8635(13) Yes
    Mo2 C4 . 1.921(2) Yes
    Mo2 C6 . 2.023(2) Yes
    Mo2 C5 . 2.029(2) Yes
    Mo2 S2 . 2.4593(9) Yes
    Mo2 S1 . 2.4699(9) Yes
    Mo2 Br1 . 2.7654(8) Yes
    N1 C19 . 1.519(2) ?
    N1 C31 . 1.524(2) ?
    N1 C23 . 1.523(2) ?
    N1 C27 . 1.529(2) ?
    S1 C7 . 1.844(2) ?
    S2 C13 . 1.845(2) ?
    O1 C1 . 1.149(3) ?
    O2 C2 . 1.161(2) ?
    O3 C3 . 1.142(3) ?
    O4 C4 . 1.170(3) ?
    O5 C5 . 1.140(3) ?
    O6 C6 . 1.139(3) ?
    C7 C8 . 1.519(3) ?
    C7 C12 . 1.528(3) ?
    C7 H7A . 0.9800 ?
    C8 C9 . 1.537(3) ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C10 . 1.532(4) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C11 . 1.518(3) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 C12 . 1.529(3) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C13 C18 . 1.523(3) ?
    C13 C14 . 1.527(3) ?
    C13 H13A . 0.9800 ?
    C14 C15 . 1.534(3) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C16 . 1.523(4) ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C16 C17 . 1.517(3) ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C17 C18 . 1.537(3) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C19 C20 . 1.526(3) ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 C21 . 1.503(3) ?
    C20 H20A . 0.9700 ?
    C20 H20B . 0.9700 ?
    C21 C22 . 1.513(4) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 H22A . 0.9600 ?
    C22 H22B . 0.9600 ?
    C22 H22C . 0.9600 ?
    C23 C24 . 1.522(3) ?
    C23 H23A . 0.9300 ?
    C23 H23B . 0.969(16) ?
    C24 C25 . 1.526(3) ?
    C24 H24A . 0.9700 ?
    C24 H24B . 0.9700 ?
    C25 C26 . 1.522(3) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 0.9600 ?
    C27 C28 . 1.521(3) ?
    C27 H27A . 0.9700 ?
    C27 H27B . 0.9700 ?
    C28 C29 . 1.540(3) ?
    C28 H28A . 0.9700 ?
    C28 H28B . 0.9700 ?
    C29 C30 . 1.517(3) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 0.9600 ?
    C31 C32 . 1.524(3) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 C33 . 1.525(3) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C33 C34 . 1.524(3) ?
    C33 H33A . 0.9700 ?
    C33 H33B . 0.9700 ?
    C34 H34A . 0.9600 ?
    C34 H34B . 0.9600 ?
    C34 H34C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 Mo1 C3 . . 91.43(9) ?
    C2 Mo1 C1 . . 85.32(9) ?
    C3 Mo1 C1 . . 82.88(9) ?
    C2 Mo1 S1 . . 95.42(7) ?
    C3 Mo1 S1 . . 165.43(6) ?
    C1 Mo1 S1 . . 84.87(7) ?
    C2 Mo1 S2 . . 93.89(7) ?
    C3 Mo1 S2 . . 84.05(7) ?
    C1 Mo1 S2 . . 166.88(6) ?
    S1 Mo1 S2 . . 108.23(3) ?
    C2 Mo1 Br1 . . 164.11(6) ?
    C3 Mo1 Br1 . . 100.14(6) ?
    C1 Mo1 Br1 . . 106.76(7) ?
    S1 Mo1 Br1 . . 75.90(4) ?
    S2 Mo1 Br1 . . 76.69(3) ?
    C2 Mo1 Mo2 . . 105.49(6) ?
    C3 Mo1 Mo2 . . 135.28(6) ?
    C1 Mo1 Mo2 . . 138.45(7) ?
    S1 Mo1 Mo2 . . 54.647(16) ?
    S2 Mo1 Mo2 . . 54.30(3) ?
    Br1 Mo1 Mo2 . . 58.628(12) ?
    C4 Mo2 C6 . . 87.82(9) ?
    C4 Mo2 C5 . . 90.09(11) ?
    C6 Mo2 C5 . . 85.12(10) ?
    C4 Mo2 S2 . . 95.32(7) ?
    C6 Mo2 S2 . . 167.47(6) ?
    C5 Mo2 S2 . . 82.75(8) ?
    C4 Mo2 S1 . . 95.10(7) ?
    C6 Mo2 S1 . . 83.40(7) ?
    C5 Mo2 S1 . . 167.20(7) ?
    S2 Mo2 S1 . . 108.33(3) ?
    C4 Mo2 Br1 . . 165.68(6) ?
    C6 Mo2 Br1 . . 102.11(7) ?
    C5 Mo2 Br1 . . 100.92(9) ?
    S2 Mo2 Br1 . . 77.23(3) ?
    S1 Mo2 Br1 . . 76.09(4) ?
    C4 Mo2 Mo1 . . 106.47(6) ?
    C6 Mo2 Mo1 . . 135.78(6) ?
    C5 Mo2 Mo1 . . 134.91(8) ?
    S2 Mo2 Mo1 . . 54.703(15) ?
    S1 Mo2 Mo1 . . 54.34(2) ?
    Br1 Mo2 Mo1 . . 59.23(2) ?
    C19 N1 C31 . . 109.21(15) ?
    C19 N1 C23 . . 111.44(15) ?
    C31 N1 C23 . . 108.65(14) ?
    C19 N1 C27 . . 108.53(14) ?
    C31 N1 C27 . . 111.20(15) ?
    C23 N1 C27 . . 107.82(14) ?
    Mo2 Br1 Mo1 . . 62.14(3) Yes
    C7 S1 Mo1 . . 111.37(7) ?
    C7 S1 Mo2 . . 111.39(7) ?
    Mo1 S1 Mo2 . . 71.01(3) Yes
    C13 S2 Mo2 . . 112.11(7) ?
    C13 S2 Mo1 . . 110.27(7) ?
    Mo2 S2 Mo1 . . 71.00(3) Yes
    O1 C1 Mo1 . . 173.8(2) ?
    O2 C2 Mo1 . . 178.88(18) ?
    O3 C3 Mo1 . . 177.75(19) ?
    O4 C4 Mo2 . . 178.06(19) ?
    O5 C5 Mo2 . . 177.9(3) ?
    O6 C6 Mo2 . . 177.34(19) ?
    C8 C7 C12 . . 110.79(17) ?
    C8 C7 S1 . . 109.11(14) ?
    C12 C7 S1 . . 109.88(14) ?
    C8 C7 H7A . . 109.0 ?
    C12 C7 H7A . . 109.0 ?
    S1 C7 H7A . . 109.0 ?
    C7 C8 C9 . . 110.60(19) ?
    C7 C8 H8A . . 109.5 ?
    C9 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    C9 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 108.1 ?
    C10 C9 C8 . . 110.9(2) ?
    C10 C9 H9A . . 109.5 ?
    C8 C9 H9A . . 109.5 ?
    C10 C9 H9B . . 109.5 ?
    C8 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 108.0 ?
    C11 C10 C9 . . 110.6(2) ?
    C11 C10 H10A . . 109.5 ?
    C9 C10 H10A . . 109.5 ?
    C11 C10 H10B . . 109.5 ?
    C9 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 108.1 ?
    C10 C11 C12 . . 111.99(19) ?
    C10 C11 H11A . . 109.2 ?
    C12 C11 H11A . . 109.2 ?
    C10 C11 H11B . . 109.2 ?
    C12 C11 H11B . . 109.2 ?
    H11A C11 H11B . . 107.9 ?
    C7 C12 C11 . . 110.31(18) ?
    C7 C12 H12A . . 109.6 ?
    C11 C12 H12A . . 109.6 ?
    C7 C12 H12B . . 109.6 ?
    C11 C12 H12B . . 109.6 ?
    H12A C12 H12B . . 108.1 ?
    C18 C13 C14 . . 110.77(17) ?
    C18 C13 S2 . . 110.30(13) ?
    C14 C13 S2 . . 108.41(14) ?
    C18 C13 H13A . . 109.1 ?
    C14 C13 H13A . . 109.1 ?
    S2 C13 H13A . . 109.1 ?
    C13 C14 C15 . . 110.65(18) ?
    C13 C14 H14A . . 109.5 ?
    C15 C14 H14A . . 109.5 ?
    C13 C14 H14B . . 109.5 ?
    C15 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 108.1 ?
    C16 C15 C14 . . 111.4(2) ?
    C16 C15 H15A . . 109.4 ?
    C14 C15 H15A . . 109.4 ?
    C16 C15 H15B . . 109.4 ?
    C14 C15 H15B . . 109.4 ?
    H15A C15 H15B . . 108.0 ?
    C17 C16 C15 . . 111.0(2) ?
    C17 C16 H16A . . 109.4 ?
    C15 C16 H16A . . 109.4 ?
    C17 C16 H16B . . 109.4 ?
    C15 C16 H16B . . 109.4 ?
    H16A C16 H16B . . 108.0 ?
    C16 C17 C18 . . 111.0(2) ?
    C16 C17 H17A . . 109.4 ?
    C18 C17 H17A . . 109.4 ?
    C16 C17 H17B . . 109.4 ?
    C18 C17 H17B . . 109.4 ?
    H17A C17 H17B . . 108.0 ?
    C13 C18 C17 . . 110.92(17) ?
    C13 C18 H18A . . 109.5 ?
    C17 C18 H18A . . 109.5 ?
    C13 C18 H18B . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 108.0 ?
    N1 C19 C20 . . 114.39(16) ?
    N1 C19 H19A . . 108.7 ?
    C20 C19 H19A . . 108.7 ?
    N1 C19 H19B . . 108.7 ?
    C20 C19 H19B . . 108.7 ?
    H19A C19 H19B . . 107.6 ?
    C21 C20 C19 . . 111.47(18) ?
    C21 C20 H20A . . 109.3 ?
    C19 C20 H20A . . 109.3 ?
    C21 C20 H20B . . 109.3 ?
    C19 C20 H20B . . 109.3 ?
    H20A C20 H20B . . 108.0 ?
    C20 C21 C22 . . 112.9(2) ?
    C20 C21 H21A . . 109.0 ?
    C22 C21 H21A . . 109.0 ?
    C20 C21 H21B . . 109.0 ?
    C22 C21 H21B . . 109.0 ?
    H21A C21 H21B . . 107.8 ?
    C21 C22 H22A . . 109.5 ?
    C21 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    C21 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    C24 C23 N1 . . 117.19(16) ?
    C24 C23 H23A . . 121.4 ?
    N1 C23 H23A . . 121.4 ?
    C24 C23 H23B . . 105.8(14) ?
    N1 C23 H23B . . 102.1(14) ?
    H23A C23 H23B . . 62.4 ?
    C23 C24 C25 . . 108.69(17) ?
    C23 C24 H24A . . 110.0 ?
    C25 C24 H24A . . 110.0 ?
    C23 C24 H24B . . 110.0 ?
    C25 C24 H24B . . 110.0 ?
    H24A C24 H24B . . 108.3 ?
    C26 C25 C24 . . 113.29(19) ?
    C26 C25 H25A . . 108.9 ?
    C24 C25 H25A . . 108.9 ?
    C26 C25 H25B . . 108.9 ?
    C24 C25 H25B . . 108.9 ?
    H25A C25 H25B . . 107.7 ?
    C25 C26 H26A . . 109.5 ?
    C25 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C25 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    C28 C27 N1 . . 115.26(16) ?
    C28 C27 H27A . . 108.5 ?
    N1 C27 H27A . . 108.5 ?
    C28 C27 H27B . . 108.5 ?
    N1 C27 H27B . . 108.5 ?
    H27A C27 H27B . . 107.5 ?
    C27 C28 C29 . . 109.09(17) ?
    C27 C28 H28A . . 109.9 ?
    C29 C28 H28A . . 109.9 ?
    C27 C28 H28B . . 109.9 ?
    C29 C28 H28B . . 109.9 ?
    H28A C28 H28B . . 108.3 ?
    C30 C29 C28 . . 112.71(19) ?
    C30 C29 H29A . . 109.0 ?
    C28 C29 H29A . . 109.0 ?
    C30 C29 H29B . . 109.0 ?
    C28 C29 H29B . . 109.0 ?
    H29A C29 H29B . . 107.8 ?
    C29 C30 H30A . . 109.5 ?
    C29 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    C29 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
    N1 C31 C32 . . 115.31(16) ?
    N1 C31 H31A . . 108.4 ?
    C32 C31 H31A . . 108.4 ?
    N1 C31 H31B . . 108.4 ?
    C32 C31 H31B . . 108.4 ?
    H31A C31 H31B . . 107.5 ?
    C31 C32 C33 . . 110.20(17) ?
    C31 C32 H32A . . 109.6 ?
    C33 C32 H32A . . 109.6 ?
    C31 C32 H32B . . 109.6 ?
    C33 C32 H32B . . 109.6 ?
    H32A C32 H32B . . 108.1 ?
    C34 C33 C32 . . 111.74(19) ?
    C34 C33 H33A . . 109.3 ?
    C32 C33 H33A . . 109.3 ?
    C34 C33 H33B . . 109.3 ?
    C32 C33 H33B . . 109.3 ?
    H33A C33 H33B . . 107.9 ?
    C33 C34 H34A . . 109.5 ?
    C33 C34 H34B . . 109.5 ?
    H34A C34 H34B . . 109.5 ?
    C33 C34 H34C . . 109.5 ?
    H34A C34 H34C . . 109.5 ?
    H34B C34 H34C . . 109.5 ?
data_global
_journal_date_recd_electronic     2004-08-31
_journal_date_accepted     2004-11-09
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue     12
_journal_page_first     m1857
_journal_page_last     m1858
_journal_paper_category     EM
_publ_contact_author     'Prof. Ke-Chen Wu, Bo-Tao Zhuang'
_publ_contact_author_email     wkc@ms.fjirsm.ac.cn
_publ_contact_author_fax     '+86-591-3714946'
_publ_contact_author_phone     '+86-591-3792600'
_publ_section_title
;
Tetra-n-butlyammonium
μ-bromo-di-μ-cyclohexanethiolato-bis[tricarbonylmolybdenum(I)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhang-Feng Zhou'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Yong-Qin Wei'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Bo-Tao Zhuang'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Ke-Chen Wu'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Chao-Yong Mang'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Tao Hong'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
    'Ming-Xi Zhang'
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Fuzhou
Fujian 350002
People's Republic of China
;
