Crystallography Open Database

Information card for entry 4077515

Preview

Coordinates	4077515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H42 Cl4 Os P2
Calculated formula	C42.5 H41 Cl4 Os P2
Title of publication	Unexpected Formation of Osmium Carbyne and Vinylidene Complexes from the Reaction of OsCl2(PPh3)3with HC⋮CCMe3
Authors of publication	Wen, Ting Bin; Yang, Sheng-Yong; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak-Po; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	19
Pages of publication	3757
a	12.9208 ± 0.0013 Å
b	20.381 ± 0.002 Å
c	16.6709 ± 0.0016 Å
α	90°
β	104.406 ± 0.002°
γ	90°
Cell volume	4252.1 ± 0.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
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	0.054
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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.	4077515.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077515.cif
54606	2012-04-28	cif/ Adding structures of 4077515, 4077516 via cif-deposit CGI script.	4077515.cif