Information card for entry 7110848

Structure parameters

• Formula: C193.5 H240.5 Cl22.5 N30 Ni13 O65
• Calculated formula: C151 H169.5 Cl22.5 N30 Ni13 O48
• Title of publication: Changing cage structures through inter-ligand repulsions
• Authors of publication: Graham, Alasdair; Meier, Stephanie; Parsons, Simon; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 811
• a: 30.603 ± 0.002 Å
• b: 30.603 ± 0.002 Å
• c: 46.202 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 37473 ± 5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1569
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections: 0.2245
• Weighted residual factors for significantly intense reflections: 0.1824
• Goodness-of-fit parameter for all reflections: 0.886
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No