Information card for entry 7102360

Structure parameters

• Formula: C104.35 H171.9 N3.2 Ni12 O47.8 P4
• Calculated formula: C104.35 H166.2 N3.2 Ni12 O47.8 P4
• 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: 28.765 ± 0.006 Å
• b: 19.213 ± 0.004 Å
• c: 28.414 ± 0.006 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 15703 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No