Information card for entry 4506847

Structure parameters

• Formula: C121.5 H156 Cl2 N24 Ni7 O32
• Calculated formula: C121.5 H156 Cl2 N24 Ni7 O32
• Title of publication: Unprecedented 3D Host-Framework Based on a Ni5Cluster with Helical Chains as Guest: Synthesis, Structure, and Magnetic Property
• Authors of publication: Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4712
• a: 16.674 ± 0.003 Å
• b: 13.484 ± 0.003 Å
• c: 30.094 ± 0.006 Å
• α: 90°
• β: 96.87 ± 0.03°
• γ: 90°
• Cell volume: 6718 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No