Crystallography Open Database

Information card for entry 2203287

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Structure parameters

Chemical name	[1,8-Bis(2-benzyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate
Formula	C22 H34 Cl2 N6 Ni O8
Calculated formula	C22 H34 Cl2 N6 Ni O8
SMILES	C1[NH]2CC[NH]3CN(Cc4ccccc4)C[NH]4[Ni]23[NH](CC4)CN1Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	[1,8-Bis(2-benzyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate
Authors of publication	Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	3
Pages of publication	m309 - m311
a	10.209 ± 0.001 Å
b	11.617 ± 0.001 Å
c	11.916 ± 0.001 Å
α	87.633 ± 0.002°
β	75.94 ± 0.002°
γ	88.501 ± 0.002°
Cell volume	1369.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.044
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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