Crystallography Open Database

Information card for entry 2205211

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Structure parameters

Chemical name	catena-Poly[[[diaquahexapyridine-μ~2~-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]
Formula	C30 H42 Co2 N6 O14 S2
Calculated formula	C30 H42 Co2 N6 O14 S2
SMILES	[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)O[Co]([OH2])([OH2])([n]1ccccc1)([n]1ccccc1)OS(=O)(=O)[O-])OS(=O)(=O)O[Co]([OH2])([OH2])([n]1ccccc1)([n]1ccccc1)OS(=O)(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.O.O.O.O.O.O.O.O
Title of publication	<i>catena</i>-Poly[[[diaquahexapyridine-μ-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]
Authors of publication	Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	m474 - m475
a	12.486 ± 0.002 Å
b	9.443 ± 0.001 Å
c	16.839 ± 0.002 Å
α	90°
β	108.289 ± 0.002°
γ	90°
Cell volume	1885.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0591
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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