Information card for entry 7102358

Structure parameters

• Formula: C92.5 H167 N Ni8 O41.2 P2
• Calculated formula: C92.5 H144.8 N Ni8 O41.2 P2
• Title of publication: A series of nickel phosphonate-carboxylate cages.
• Authors of publication: Breeze, Barbara A; Shanmugam, Muralidharan; Tuna, Floriana; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5185 - 5187
• a: 21.512 ± 0.005 Å
• b: 16.983 ± 0.003 Å
• c: 34.416 ± 0.006 Å
• α: 90°
• β: 91.234 ± 0.017°
• γ: 90°
• Cell volume: 12571 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1238
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No