Crystallography Open Database

Information card for entry 4317513

Preview

Coordinates	4317513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Fe4 N4 O4 P4 S16 W4
Calculated formula	C28 H40 Fe4 N4 O4 P4 S16 W4
SMILES	[W]12345([Fe]678([W]9%10%11([Fe]%12%13([W]%14%15%16([Fe]%17%18([W]%19%20%21([Fe]1(S2)([S]36)([S]%18%19)S%20)(SCC[P]%21(C)C)S%17)([S]%13%14)S%15)(SCC[P]%16(C)C)S%12)([S]89)S%10)(SCC[P]%11(C)C)S7)S4)SCC[P]5(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
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	14.994 ± 0.002 Å
b	13.515 ± 0.001 Å
c	17.812 ± 0.003 Å
α	80.655 ± 0.002°
β	99.003 ± 0.001°
γ	113.025 ± 0.002°
Cell volume	3260.6 ± 0.7 Å³
Cell temperature	297.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.687
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.	4317513.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317513.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317513.cif
12258	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317513 via cif-deposit CGI script.	4317513.cif