Crystallography Open Database

Information card for entry 4331906

4331905 << 4331906 >> 4331907

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Coordinates	4331906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 Co2 O5 Ru S2
Calculated formula	C23 H22 Co2 O5 Ru S2
SMILES	[Ru]12345678([Co]9%10([Co]1([S]3c1c([S]29)cccc1)(C%10=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]6([c]7([c]81C)C)C)C)C)C
Title of publication	Thermochromic Triangular [MCo2] (M = Rh, Ir, Ru) Clusters Containing a Planar Metalladithiolene Ring in η3Coordination
Authors of publication	Nakagawa, Norikiyo; Yamada, Teppei; Murata, Masaki; Sugimoto, Manabu; Nishihara, Hiroshi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	14 - 16
a	10.096 ± 0.004 Å
b	16.31 ± 0.006 Å
c	15.174 ± 0.006 Å
α	90°
β	103.259 ± 0.001°
γ	90°
Cell volume	2432 ± 1.6 Å³
Cell temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
179422 (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 4/33/19.	4331906.cif
97964	2014-01-29	cif/ Adding structures of 4331906 via cif-deposit CGI script.	4331906.cif