Information card for entry 4000194

Structure parameters

• Chemical name: Gallium Phosphatooxalate
• Formula: C16 H41 Ga6 N4 O41.5 P6
• Calculated formula: C8 H20 Ga3 N2 O20.75 P3
• Title of publication: (C10H28N4)[Ga6(OH)2(PO4)2(HPO4)4(C2O4)3].3.5H2O Preparation, Crystal Structure, NMR Spectroscopy, and Thermal Stability of a Novel Gallium Phosphatooxalate with pendant Oxalate ligands
• Authors of publication: Choi, C; Anokhina, E V; Taullelle, F; Zhao, Y; Lachgar, A
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 9.022 ± 0.0007 Å
• b: 9.1864 ± 0.0009 Å
• c: 13.4912 ± 0.0009 Å
• α: 73.988 ± 0.009°
• β: 79.199 ± 0.007°
• γ: 78.775 ± 0.007°
• Cell volume: 1043.55 ± 0.15 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No