Crystallography Open Database

Information card for entry 2202196

2202195 << 2202196 >> 2202197

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Structure parameters

Chemical name	[1-(benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane]chlorocopper(II) perchlorate
Formula	C14 H21 Cl2 Cu N5 O4
Calculated formula	C14 H21 Cl2 Cu N5 O4
SMILES	[Cu]123(Cl)[N]4(CC[NH]1CC[NH]2CC4)Cc1[n]3c2c(cccc2)[nH]1.Cl(=O)(=O)(=O)[O-]
Title of publication	[1-(Benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane]chlorocopper(II) perchlorate
Authors of publication	Li, Qing-Xiang; Li, Yi-Zhi; Luo, Qin-Hui
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	m23 - m25
a	10.336 ± 0.001 Å
b	13.428 ± 0.001 Å
c	13.051 ± 0.001 Å
α	90°
β	99.56 ± 0.02°
γ	90°
Cell volume	1786.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0472
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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