Crystallography Open Database

Information card for entry 4317510

Preview

Coordinates	4317510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43 Br Cu2 N P3 S4 W
Calculated formula	C42 H43 Br Cu2 N P3 S4 W
SMILES	[W]12345([Cu]6(Br)([Cu]1([S]36)(S4)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(S2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)SCC[P]5(C)C.N#CC
Title of publication	Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2
Authors of publication	Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	513 - 520
a	17.845 ± 0.001 Å
b	10.0916 ± 0.0001 Å
c	25.606 ± 0.0006 Å
α	90°
β	101.794 ± 0.0007°
γ	90°
Cell volume	4513.9 ± 0.3 Å³
Cell temperature	173.2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0488
Goodness-of-fit parameter for all reflections included in the refinement	1.585
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317510.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317510.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317510.cif
12252	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317510 via cif-deposit CGI script.	4317510.cif