Crystallography Open Database

Information card for entry 7051683

Preview

Coordinates	7051683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 B O10 Os3
Calculated formula	C21 H21 B O10 Os3
SMILES	[Os]123([Os]4([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[CH](=[C]4(C)C)B([CH]2=[C]3(C)C)CCC)(C#[O])(C#[O])C#[O]
Title of publication	Reactions of H2Os3(CO)10 with triallylboranes: formation of novel triosmium boron-containing olefin clusters
Authors of publication	Kizas, Ol'ga A.; Erdyakov, Sergey Yu.; Antonov, Dmitrii Yu.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Barakovskaya, Irina G.
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	8
Pages of publication	1760
a	9.707 ± 0.003 Å
b	16.418 ± 0.005 Å
c	16.152 ± 0.005 Å
α	90°
β	97.054 ± 0.007°
γ	90°
Cell volume	2554.7 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0785
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180070 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/16.	7051683.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051683.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051683.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7051683.cif
1161	2010-05-08	cif/7/ Adding data from New-J-Chem-2009/.	7051683.cif