Information card for entry 4304925

Structure parameters

• Formula: C6 H14 Ga N3 O12.5 P
• Calculated formula: C6 H13 Ga N3 O12.5 P
• Title of publication: Convenient Synthesis of Aluminum and Gallium Phosphonate Cages
• Authors of publication: Christian R. Samanamu; Marilyn M. Olmstead; Jean-Luc Montchamp; Anne F. Richards
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3879 - 3887
• a: 9.223 ± 0.0011 Å
• b: 20.733 ± 0.002 Å
• c: 29.734 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5685.7 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No