Crystallography Open Database

Information card for entry 4339164

Preview

Coordinates	4339164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H42 Cl N4 O2.5 Os S2
Calculated formula	C26.5 H42 Cl N4 O2.5 Os S2
SMILES	[Os]1([S](=O)(C)C)([S](=O)(C)C)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C#N)C#N.ClCCl.CCOCC
Title of publication	cis-Dicyanoosmium(II) diimine complexes bearing phosphine or sulfoxide ligands: spectroscopic and luminescent studies.
Authors of publication	Lai, Siu-Wai; Chan, Queenie K.-W.; Zhu, Nianyong; Che, Chi-Ming
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11003 - 11016
a	19.018 ± 0.004 Å
b	22.018 ± 0.004 Å
c	18.594 ± 0.004 Å
α	90°
β	109.34 ± 0.03°
γ	90°
Cell volume	7347 ± 3 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	0.828
Diffraction radiation wavelength	0.71073 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.	4339164.cif
117171	2014-06-14	cif/ Adding structures of 4339157, 4339158, 4339159, 4339160, 4339161, 4339162, 4339163, 4339164, 4339165 via cif-deposit CGI script.	4339164.cif