Crystallography Open Database

Information card for entry 4114323

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Structure parameters

Formula	C18 H42 O2 Os P2
Calculated formula	C18 H42 O2 Os P2
SMILES	[P](C(C)C)(C(C)C)(C(C)C)[Os](=O)(=O)[P](C(C)C)(C(C)C)C(C)C
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	7.7796 ± 0.0015 Å
b	7.8028 ± 0.0015 Å
c	9.2994 ± 0.0018 Å
α	99.115 ± 0.003°
β	90.767 ± 0.003°
γ	100.417 ± 0.003°
Cell volume	547.67 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0485
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4114323.cif
178914	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.	4114323.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114323.cif
67620	2012-10-01	cif/ Adding structures of 4114323 via cif-deposit CGI script.	4114323.cif