Information card for entry 7206628

Structure parameters

• Formula: C72 H108 Cl6 N54 Ni3 O24
• Calculated formula: C72 H108 Cl6 N54 Ni3 O24
• Title of publication: Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane
• Authors of publication: Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6665
• a: 18.787 ± 0.002 Å
• b: 18.787 ± 0.002 Å
• c: 25.17 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7693.6 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No