Crystallography Open Database

Information card for entry 2200714

2200713 << 2200714 >> 2200715

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Structure parameters

Formula	C20 H26 N2 Ni O12
Calculated formula	C20 H26 N2 Ni O12
SMILES	[Ni](OC(=O)/C(=C\C(=O)O)C)([OH2])(OC(=O)C(=C\C(=O)O)/C)([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Ni](OC(=O)/C(=C\C(=O)O)C)(OC(=O)C(=C\C(=O)O)/C)([OH2])[OH2])[n]1ccc(c2cc[n]cc2)cc1.O.O.O.O
Title of publication	<i>catena</i>-Poly[[[diaquabis[<i>cis</i>-2-methyl-but-2-enedioate(1‒)-<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] dihydrate]
Authors of publication	Liao, Ju-Hsiou; Su, Ching-Ting; Hsu, Che-Chih
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	m501 - m503
a	7.065 ± 0.001 Å
b	15.148 ± 0.003 Å
c	11.113 ± 0.002 Å
α	90°
β	98.09 ± 0.01°
γ	90°
Cell volume	1177.5 ± 0.4 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	0.0461
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for all reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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