Crystallography Open Database

Information card for entry 4331904

4331903 << 4331904 >> 4331905

Preview

Coordinates	4331904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Co2 O5 Rh S2
Calculated formula	C21 H19 Co2 O5 Rh S2
SMILES	[Rh]1234567([Co]89([Co]1([S]2c1c([S]38)cccc1)(C9=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]7([c]4([c]6([c]51C)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	16.95 ± 0.003 Å
b	14.65 ± 0.0007 Å
c	19.63 ± 0.0005 Å
α	90°
β	102.58 ± 0.0005°
γ	90°
Cell volume	4757.5 ± 0.9 Å³
Cell temperature	120 ± 5 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
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.	4331904.cif
97962	2014-01-29	cif/ Adding structures of 4331904 via cif-deposit CGI script.	4331904.cif