Information card for entry 7106967

Structure parameters

• Formula: B H5 O18 P4 Ti2
• Calculated formula: B O18 P4 Ti2
• Title of publication: Nanoporous titanium borophosphates with rigid gainesite-type framework structure
• Authors of publication: Yan Zhou; Stefan Hoffmann; Prashanth W. Menezes; Wilder Carrillo-Cabrera; Ya-Xi Huang; Leonid Vasylechko; Marcus Schmidt; Yurii Prots; Jin-Feng Deng; Jin-Xiao Mi; Rudiger Kniep
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11695
• a: 6.3213 ± 0.0004 Å
• b: 6.3213 ± 0.0004 Å
• c: 16.461 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 657.76 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No