Crystallography Open Database

Information card for entry 2214326

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Structure parameters

Chemical name	Di-μ-chloro-bis{aqua[5-ethyl-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro- 1H-imidazol-2-yl)nicotinato]copper(II)}
Formula	C30 H40 Cl2 Cu2 N6 O8
Calculated formula	C30 H40 Cl2 Cu2 N6 O8
Title of publication	Di-μ-chlorido-bis{aqua[5-ethyl-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)nicotinato]copper(II)}
Authors of publication	Zhao, Yan; Qian, Kun; Tu, Yong-Gang; Li, Jian-Ke; Liu, Wei
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1972 - m1973
a	12.96 ± 0.002 Å
b	13.2235 ± 0.0019 Å
c	10.4526 ± 0.0016 Å
α	90°
β	97.012 ± 0.003°
γ	90°
Cell volume	1777.9 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
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	0.0853
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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