Information card for entry 2008142

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 ų
• 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 Fobs: Yes