Information card for entry 4304923

Structure parameters

• Common name: [(2pypo)4(2pypoH)2Ga8Cl12(H20)4(thf)2][GaCl4]2.8(thf)
• Formula: C70 H114 Cl20 Ga10 N6 O32 P6
• Calculated formula: C70 H110 Cl20 Ga10 N6 O32 P6
• 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: 14.533 ± 0.002 Å
• b: 15.101 ± 0.003 Å
• c: 19.687 ± 0.003 Å
• α: 68.691 ± 0.003°
• β: 88.293 ± 0.003°
• γ: 61.349 ± 0.002°
• Cell volume: 3476.8 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No