Crystallography Open Database

Information card for entry 2205160

2205159 << 2205160 >> 2205161

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Structure parameters

Chemical name	Aqua[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate
Formula	C13 H14 Br Cu N3 O6
Calculated formula	C13 H14 Br Cu N3 O6
SMILES	[Cu]12(Oc3ccc(Br)cc3C=[N]1Cc1[n]2cccc1)[OH2].O=N(=O)[O-].O
Title of publication	Aqua[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate
Authors of publication	Sun, Yu-Xi; Gao, Gen-Zhi; Pei, Hong-Xia; Zhang, Rui
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	2
Pages of publication	m370 - m372
a	7.838 ± 0.002 Å
b	9.039 ± 0.002 Å
c	11.988 ± 0.002 Å
α	106.95 ± 0.01°
β	102.77 ± 0.01°
γ	93.04 ± 0.01°
Cell volume	786 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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