Crystallography Open Database

Information card for entry 2241295

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Structure parameters

Chemical name	Bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)
Formula	C42 H40 Cl4 Co O2 P2
Calculated formula	C42 H40 Cl4 Co O2 P2
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[P+](CC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)
Authors of publication	Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m209 - m210
a	18.758 ± 0.003 Å
b	15.769 ± 0.002 Å
c	27.157 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8033 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241295.cif 2241295.hkl
170177	2015-11-07	cif/ hkl/ Adding structures of 2241295 via cif-deposit CGI script.	2241295.cif 2241295.hkl