Information card for entry 2011109

Structure parameters

• Chemical name: cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)nickel(II) perchlorate
• Formula: C12 H30 Cl2 N6 Ni O8
• Calculated formula: C12 H30 Cl2 N6 Ni O8
• Title of publication: Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand <i>cis</i>-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine
• Authors of publication: Bernhardt, Paul V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 744 - 746
• a: 9.198 ± 0.004 Å
• b: 12.771 ± 0.001 Å
• c: 9.88 ± 0.005 Å
• α: 90°
• β: 113.09 ± 0.02°
• γ: 90°
• Cell volume: 1067.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes