Crystallography Open Database

Information card for entry 4084751

Preview

Coordinates	4084751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H48 Cl N2 Os P3 S2
Calculated formula	C61.5 H48 Cl N2 Os P3 S2
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	12.6974 ± 0.0003 Å
b	21.4782 ± 0.0005 Å
c	19.9049 ± 0.0005 Å
α	90°
β	97.199 ± 0.002°
γ	90°
Cell volume	5385.6 ± 0.2 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	0.0422
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0952
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
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.	4084751.cif
126812	2014-11-11	cif/ Adding structures of 4084749, 4084750, 4084751, 4084752, 4084753 via cif-deposit CGI script.	4084751.cif