Crystallography Open Database

Information card for entry 4339158

Preview

Coordinates	4339158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cl4 N4 Os P2
Calculated formula	C52 H42 Cl4 N4 Os P2
SMILES	[P](c1ccccc1)(c1ccccc1)([Os]1(C#N)(C#N)([n]2cccc3c2c2c(ccc[n]12)cc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
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	20.479 ± 0.004 Å
b	10.639 ± 0.002 Å
c	23.738 ± 0.005 Å
α	90°
β	113.88 ± 0.03°
γ	90°
Cell volume	4729 ± 2 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
179494 (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 4/33/91.	4339158.cif
117171	2014-06-14	cif/ Adding structures of 4339157, 4339158, 4339159, 4339160, 4339161, 4339162, 4339163, 4339164, 4339165 via cif-deposit CGI script.	4339158.cif