Crystallography Open Database

Information card for entry 4317512

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Structure parameters

Formula	C8 H20 Cl Fe2 P2 S8 W2
Calculated formula	C8 H20 Cl Fe2 P2 S8 W2
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	13.0303 ± 0.0003 Å
b	13.0303 ± 0.0003 Å
c	29.5638 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5019.6 ± 0.2 Å³
Cell temperature	173.2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	2.496
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4317512.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317512.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317512.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317512.cif
12256	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317512 via cif-deposit CGI script.	4317512.cif