Information card for entry 1563021

Structure parameters

• Formula: C12 H11 Li O6 P2
• Calculated formula: C12 H11 Li O6 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: 27.368 ± 0.003 Å
• b: 8.6016 ± 0.0009 Å
• c: 5.4046 ± 0.0006 Å
• α: 90°
• β: 98.025 ± 0.002°
• γ: 90°
• Cell volume: 1259.8 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No