Information card for entry 1563027

Structure parameters

• Formula: C14 H33 N Na2 O14 P2
• Calculated formula: C14 H33 N Na2 O14 P2
• Title of publication: Structural differences of metal biphenylenebisphosphonate with change in the alkali metal
• Authors of publication: Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 187
• Pages of publication: 149 - 158
• a: 8.369 ± 0.003 Å
• b: 9.522 ± 0.005 Å
• c: 16.5383 ± 0.0015 Å
• α: 78.33 ± 0.04°
• β: 83.71 ± 0.03°
• γ: 72.19 ± 0.04°
• Cell volume: 1227.2 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No