Crystallography Open Database

Information card for entry 4081887

Preview

Coordinates	4081887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H20 Au O9 Os3 P
Calculated formula	C33 H20 Au O9 Os3 P
SMILES	[Au]1([Os]23([H][Os]4([Os]512([C]13=[C]45C=CC=C1)(C#[O])(C#[O])C#[O])(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	9.4965 ± 0.0002 Å
b	12.8917 ± 0.0003 Å
c	28.5192 ± 0.0006 Å
α	86.469 ± 0.001°
β	86.732 ± 0.001°
γ	88.964 ± 0.001°
Cell volume	3478.83 ± 0.13 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4081887.cif
91794	2013-12-13	cif/ Adding structures of 4081886, 4081887, 4081888, 4081889, 4081890, 4081891, 4081892, 4081893, 4081894 via cif-deposit CGI script.	4081887.cif