Crystallography Open Database

Information card for entry 7008901

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Coordinates	7008901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 As2 Cl Co3 O8
Calculated formula	C32 H20 As2 Cl Co3 O8
SMILES	[Co]123([Co]4([Co]1([As](O[As]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C34Cl)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Reactions of diarsines with bi- and tri-metallic carbonyl complexes containing cobalt
Authors of publication	Choi, Nick; Conole, Gráinne; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Stone, Caroline L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	3
Pages of publication	395
a	16.843 ± 0.004 Å
b	11.199 ± 0.003 Å
c	19.844 ± 0.005 Å
α	90°
β	110.873 ± 0.015°
γ	90°
Cell volume	3497.4 ± 1.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.1613
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179793 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/89.	7008901.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008901.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008901.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.	7008901.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008901.cif