Information card for entry 2018472

Structure parameters

• Chemical name: <i>cis</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate)
• Formula: C15 H32 Cl2 N6 Ni O9
• Calculated formula: C15 H32 Cl2 N6 Ni O9
• Title of publication: Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane
• Authors of publication: De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m121 - m126
• a: 9.428 ± 0.005 Å
• b: 16.047 ± 0.005 Å
• c: 16.06 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.7 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes