Crystallography Open Database

Information card for entry 2008142

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Structure parameters

Common name	[Ni(Me6trans[14]teteneN4)](ClO4)2
Chemical name	[Nickel(II)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- -1,4,8,11-tetraene)]diperchlorate
Formula	C16 H28 Cl2 N4 Ni O8
Calculated formula	C16 H28 Cl2 N4 Ni O8
SMILES	C1(CC(C)(C)[N]2[Ni]34[N]=1CC=[N]4C(CC(=[N]3CC=2)C)(C)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) diperchlorate
Authors of publication	Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	2
Pages of publication	160 - 162
a	6.866 ± 0.003 Å
b	9.101 ± 0.004 Å
c	9.927 ± 0.004 Å
α	100.62 ± 0.02°
β	90.85 ± 0.03°
γ	109.34 ± 0.02°
Cell volume	573.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0747
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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