Crystallography Open Database

Information card for entry 2204232

2204231 << 2204232 >> 2204233

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204232.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate
Formula	C30 H34 Co N4 O11
Calculated formula	C30 H34 Co N4 O11
SMILES	[Co]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(OC(=O)COc1ccc(OCC(=O)[O-])cc1)[OH2].O.O.O.O
Title of publication	Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate
Authors of publication	Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	m1202 - m1204
a	15.639 ± 0.003 Å
b	10.152 ± 0.002 Å
c	19.996 ± 0.004 Å
α	90°
β	92.23 ± 0.03°
γ	90°
Cell volume	3172.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.097
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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