Information card for entry 4116238

Structure parameters

• Formula: C12 H20 Ga4 N2 O21 P4
• Calculated formula: C12 H12 Ga4 O21 P4
• SMILES: c1ccccc1.O[Ga]123[O]45[Ga]67(OP(=O)(O[Ga]84(OP(=O)(O6)O[Ga]5(OP(=O)(O2)O8)(OP(=O)(O1)O7)O)O)O3)O.c1ccccc1
• Title of publication: Anionic Gallium Phosphate Double Four-Ring Units Containing Occluded Oxygen
• Authors of publication: David S. Wragg; Russell E. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11246 - 11247
• a: 13.016 ± 0.003 Å
• b: 13.016 ± 0.003 Å
• c: 7.356 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections: 0.1953
• Weighted residual factors for significantly intense reflections: 0.1838
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No