Crystallography Open Database

Information card for entry 4317509

Preview

Coordinates	4317509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 O P2 S4 W
Calculated formula	C42 H42 O P2 S4 W
SMILES	[W]1(=S)(=S)(=S)SCC[P]1(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
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	11.034 ± 0.003 Å
b	11.172 ± 0.002 Å
c	18.354 ± 0.004 Å
α	80.07 ± 0.002°
β	76.363 ± 0.002°
γ	63.973 ± 0.002°
Cell volume	1969.6 ± 0.8 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	2.051
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.	4317509.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317509.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317509.cif
12250	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317509 via cif-deposit CGI script.	4317509.cif