Crystallography Open Database

Information card for entry 2242033

2242032 << 2242033 >> 2242034

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Coordinates	2242033.cif
Original IUCr paper	HTML

Structure parameters

Common name	cobalt(II) isobutyrate dihydrate
Chemical name	<i>catena</i>-Poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]
Formula	C8 H18 Co O6
Calculated formula	C8 H18 Co O6
SMILES	[Co]12(OC(=O)C(C)C)(OC(=O)C(C)C)([OH2])[O]=C(O[Co]([O]1C(=O)C(C)C)[OH2]2)C(C)C.O.O
Title of publication	Crystal structure of a Co^II^ coordination polymer: <i>catena</i>-poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]
Authors of publication	Fischer, Andrei I.; Gurzhiy, Vladislav V.; Aleksandrova, Julia V.; Pakina, Maria I.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	318 - 321
a	11.9999 ± 0.0004 Å
b	6.3815 ± 0.0002 Å
c	16.1374 ± 0.0006 Å
α	90°
β	109.54 ± 0.002°
γ	90°
Cell volume	1164.59 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
191352 (current)	2017-02-04	cif/ Adding structures of 2242033 via cif-deposit CGI script.	2242033.cif