Information card for entry 4501705

Structure parameters

• Formula: C205 H166 N60 Ni8 O54 S4
• Calculated formula: C205 H164 N60 Ni8 O54 S4
• Title of publication: Solvent-Mediated Central Metals Transformation from a Tetranuclear NiIICage to a Decanuclear CuII“Pocket”
• Authors of publication: Pan, Fangfang; Wu, Jie; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 3835
• a: 17.705 ± 0.004 Å
• b: 20.974 ± 0.004 Å
• c: 21.846 ± 0.004 Å
• α: 63.5 ± 0.03°
• β: 74.17 ± 0.03°
• γ: 72.38 ± 0.03°
• Cell volume: 6829 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No