Crystallography Open Database

Information card for entry 4084752

Preview

Coordinates	4084752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H50 Cl3 N2 Os P3 S2
Calculated formula	C62 H50 Cl3 N2 Os P3 S2
SMILES	[Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C(C=1)Cl)(N=C=S)N=C=S.C(Cl)Cl
Title of publication	Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex
Authors of publication	Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5301
a	12.709 ± 0.0003 Å
b	19.6956 ± 0.0006 Å
c	22.2298 ± 0.0006 Å
α	90°
β	96.173 ± 0.002°
γ	90°
Cell volume	5532.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0339
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178736 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084752.cif
126812	2014-11-11	cif/ Adding structures of 4084749, 4084750, 4084751, 4084752, 4084753 via cif-deposit CGI script.	4084752.cif