Crystallography Open Database

Information card for entry 4331905

4331904 << 4331905 >> 4331906

Preview

Coordinates	4331905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Co2 Ir O5 S2
Calculated formula	C21 H19 Co2 Ir O5 S2
SMILES	C1(=O)[Co]23(C#[O])(C#[O])[S]4c5ccccc5[S]5[Co]12(C#[O])(C#[O])[Ir]1267345[c]3([c]1([c]2([c]6([c]73C)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	16.835 ± 0.005 Å
b	14.421 ± 0.004 Å
c	19.589 ± 0.005 Å
α	90°
β	102.641 ± 0.004°
γ	90°
Cell volume	4640 ± 2 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	0.039
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4331905.cif
97963	2014-01-29	cif/ Adding structures of 4331905 via cif-deposit CGI script.	4331905.cif