Crystallography Open Database

Information card for entry 4114324

Preview

Coordinates	4114324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Cl2 O2 Os P2
Calculated formula	C18 H42 Cl2 O2 Os P2
SMILES	[P](C(C)C)(C(C)C)(C(C)C)[Os](Cl)(=O)([P](C(C)C)(C(C)C)C(C)C)(Cl)=O
Title of publication	Dioxygen Activation by an Osmium-dihydride: Preparation and Characterization of a d4 Square-Planar Complex
Authors of publication	Miguel A. Esteruelas; Francisco J. Modrego; Enrique Oñate; Eva Royo
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13344 - 13345
a	8.0247 ± 0.0015 Å
b	9.0401 ± 0.0017 Å
c	16.608 ± 0.003 Å
α	90°
β	91.187 ± 0.003°
γ	90°
Cell volume	1204.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0714
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
178914 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43.	4114324.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114324.cif
67621	2012-10-01	cif/ Adding structures of 4114324 via cif-deposit CGI script.	4114324.cif