Crystallography Open Database

Information card for entry 4081889

Preview

Coordinates	4081889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 Au O10 Os3 P
Calculated formula	C38 H22 Au O10 Os3 P
SMILES	[Au]1([Os]23([Os]41([Os]2(C#[O])(C#[O])(C#[O])C#[O])([c]13ccc2c([cH]41)cccc2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations
Authors of publication	Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6368
a	30.52 ± 0.003 Å
b	10.1912 ± 0.0008 Å
c	27.194 ± 0.003 Å
α	90°
β	115.246 ± 0.004°
γ	90°
Cell volume	7650.4 ± 1.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178707 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18.	4081889.cif
91794	2013-12-13	cif/ Adding structures of 4081886, 4081887, 4081888, 4081889, 4081890, 4081891, 4081892, 4081893, 4081894 via cif-deposit CGI script.	4081889.cif