Crystallography Open Database

Information card for entry 4075160

Preview

Coordinates	4075160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 O4 Os2
Calculated formula	C24 H30 O4 Os2
SMILES	C(#[O])[Os]123456([c]7([c]4([c]3(C)[c]2(C)[c]17C)C)C)C(=O)[Os]12346([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)(C#[O])C5=O
Title of publication	Efficient Synthesis of the Os−Os Dimers [Cp(CO)2Os]2, [Cp*(CO)2Os]2, and [(iPr4C5H)(CO)2Os]2and Computational Studies on the Relative Stabilities of Their Geometrical Isomers
Authors of publication	Zhang, Jie; Huang, Kuo-Wei; Szalda, David J.; Bullock, R. Morris
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2209
a	9.792 ± 0.002 Å
b	8.358 ± 0.0017 Å
c	14.374 ± 0.003 Å
α	90°
β	99.83 ± 0.03°
γ	90°
Cell volume	1159.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0542
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075160.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075160.cif
49088	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075160 via cif-deposit CGI script.	4075160.cif