In:
Acta Crystallographica Section B Structural Science, International Union of Crystallography (IUCr), Vol. 52, No. 2 ( 1996-04-01), p. 384-387
Abstract:
2,2′,5,5′-Tetraselenafulvalene-7,7,8,8-tetracyano- p -quinodimethane (1/1), TSeF–TCNQ, C 6 H 4 Se 4 .C 12 H 4 N 4 , M r = 596.13, monoclinic, P 2 1 / c , a = 12.5048 (4), b = 3.8724 (2), c = 18.5041 (7) Å, β = 104.131 (3)°, V = 868.9 Å 3 , T = 297 K, Z = 2, F (000) = 560, D x = 2.28 Mg m −3 , λ (Cu K α) = 1.5418 Å, μ = 115.7 cm −1 , R ( F ) = 0.018, wR ( F ) = 0.030 for 1393 unique reflections with σ ( F 2 ) 〉 3 F 2 . The crystals are isostructural with the corresponding tetrathiafulvalene salt, TTF–TCNQ, with both cations and anions arranged in segregated stacks parallel to b . There are Se...N distances of 3.17 and 3.18 Å, along a , between cation and anion stacks, and H...H distances of 2.58 Å, along c , between neighboring cation stacks, all shorter than the corresponding distances in TTF–TCNQ.
Type of Medium:
Online Resource
ISSN:
0108-7681
DOI:
10.1107/S0108768195012286
DOI:
10.1107/S0108768195012286/cr0487sup1.cif
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
1996
detail.hit.zdb_id:
2020841-8
SSG:
13
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