Crystallography Open Database

Information card for entry 4331647

Preview

Coordinates	4331647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Co2 Mo O2 Se4
Calculated formula	C24 H18 Co2 Mo O2 Se4
SMILES	[Mo]1234([Se]5[Co]67893([Se]1c1c5cccc1)[cH]1[cH]6[cH]7[cH]8[cH]91)([Se]1[Co]35674([Se]2c2c1cccc2)[cH]1[cH]3[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	6.6624 ± 0.0007 Å
b	23.145 ± 0.002 Å
c	16.511 ± 0.002 Å
α	90°
β	102.433 ± 0.006°
γ	90°
Cell volume	2486.3 ± 0.5 Å³
Cell temperature	120 ± 5 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.47
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.	4331647.cif
97771	2014-01-29	cif/ Adding structures of 4331645, 4331646, 4331647, 4331648 via cif-deposit CGI script.	4331647.cif