Information card for entry 7110712

Structure parameters

• Formula: C4 H14.6 F0.4 N2 Nb4 O28.6 P5
• Calculated formula: C4 N2 Nb4 O27.84 P4.96
• Title of publication: The synthesis and single crystal structure of an amino acid intercalated layered niobium phosphate: [(NbOPO4)4•(H3NCH2CO2H)2][H2PO4][OH, F]
• Authors of publication: Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Jacobson, Allan J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2531
• a: 17.02 ± 0.002 Å
• b: 6.4973 ± 0.0007 Å
• c: 6.4992 ± 0.0007 Å
• α: 90°
• β: 109.304 ± 0.002°
• γ: 90°
• Cell volume: 678.3 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.0883
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No