Crystallography Open Database

Information card for entry 4331648

Preview

Coordinates	4331648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Co O2 Se4 W
Calculated formula	C19 H13 Co O2 Se4 W
SMILES	c12ccccc1[Se][W]13(C#[O])(C#[O])([Co]45678([cH]9[cH]4[cH]5[cH]6[cH]79)[Se]1c1ccccc1[Se]38)[Se]2
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	8.079 ± 0.005 Å
b	10.432 ± 0.006 Å
c	13.196 ± 0.008 Å
α	66.93 ± 0.02°
β	81.35 ± 0.03°
γ	77.75 ± 0.03°
Cell volume	997.1 ± 1.1 Å³
Cell temperature	120 ± 5 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	0.0911
Weighted residual factors for all reflections included in the refinement	0.2451
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331648.cif
97771	2014-01-29	cif/ Adding structures of 4331645, 4331646, 4331647, 4331648 via cif-deposit CGI script.	4331648.cif