Information card for entry 8106159

Structure parameters

• Formula: C50 H92 Cl2 N12 Ni2 O14
• Calculated formula: C50 H92 Cl2 N12 Ni2 O14
• Title of publication: Crystal structure of (μ2-2,2′-bipyridine-3,3′-dicarboxylato)-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-di-nickel(II) perchlorate N,N′-dimethylformamide solvate, C50H92Cl2N12Ni2O14
• Authors of publication: Li, Huan-Yong; Lin, Wang; Han, Feng-Xian; Ou, Guang-Chuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 379 - 381
• a: 25.731 ± 0.005 Å
• b: 9.94 ± 0.002 Å
• c: 26.574 ± 0.005 Å
• α: 90°
• β: 114.825 ± 0.004°
• γ: 90°
• Cell volume: 6169 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0487
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No