Crystallography Open Database

Information card for entry 2214441

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Structure parameters

Chemical name	Diaquabis(3-methylpyridine-2-carboxamide-κ^2^N,O)copper(II) dinitrate
Formula	C14 H20 Cu N6 O10
Calculated formula	C14 H20 Cu N6 O10
SMILES	c12C(N)=[O][Cu]3([n]2cccc1C)([OH2])([n]1c(c(ccc1)C)C(=[O]3)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Diaquabis(3-methylpyridine-2-carboxamide-κ^2^<i>N</i>,<i>O</i>)copper(II) dinitrate
Authors of publication	Hong Ruan; Hong-Wei Chen; Ri-Cheng Xuan
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1855 - m1855
a	6.656 ± 0.004 Å
b	11.874 ± 0.009 Å
c	12.472 ± 0.006 Å
α	90°
β	96.97 ± 0.02°
γ	90°
Cell volume	978.4 ± 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	0.0417
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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