Crystallography Open Database

Information card for entry 4339161

Preview

Coordinates	4339161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H58 Cl2 N4 O Os P2
Calculated formula	C57 H58 Cl2 N4 O Os P2
SMILES	[Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C#N)C#N.C(Cl)Cl.O
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	12.034 ± 0.002 Å
b	28.425 ± 0.006 Å
c	15.404 ± 0.003 Å
α	90°
β	101.71 ± 0.03°
γ	90°
Cell volume	5159.5 ± 1.8 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
211151 (current)	2018-09-25	cif/4/33/91/ Marking attached hydrogen atoms in entries 4339160-4339163, 4339165.	4339161.cif
179494	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.	4339161.cif
117171	2014-06-14	cif/ Adding structures of 4339157, 4339158, 4339159, 4339160, 4339161, 4339162, 4339163, 4339164, 4339165 via cif-deposit CGI script.	4339161.cif