Crystallography Open Database

Information card for entry 4331645

Preview

Coordinates	4331645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Co2 O2 S4 W
Calculated formula	C24 Co2 O2 S4 W
SMILES	[W]1234([Co]56789([S]1c1ccccc1[S]25)[cH]1[cH]9[cH]8[cH]7[cH]61)([Co]12567([S]3c3ccccc3[S]41)[cH]1[cH]2[cH]5[cH]6[cH]71)(C#[O])C#[O]
Title of publication	Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls
Authors of publication	Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1108 - 1116
a	11.672 ± 0.002 Å
b	16.107 ± 0.004 Å
c	6.505 ± 0.001 Å
α	96.27 ± 0.02°
β	96.18 ± 0.01°
γ	84.12 ± 0.02°
Cell volume	1203.5 ± 0.4 Å³
Cell temperature	293 ± 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	0.038
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.33
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.	4331645.cif
97771	2014-01-29	cif/ Adding structures of 4331645, 4331646, 4331647, 4331648 via cif-deposit CGI script.	4331645.cif