Information card for entry 2018474

Structure parameters

• Chemical name: <i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate
• Formula: C20 H36.48 Cl2 N8 Ni O8.24
• Calculated formula: C20 H36 Cl2 N8 Ni O8.248
• 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: 13.7285 ± 0.0012 Å
• b: 19.233 ± 0.0018 Å
• c: 21.171 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5590 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes