Information card for entry 1563023

Structure parameters

• Formula: C12 H11 K O6 P2
• Calculated formula: C12 H11 K 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: 5.879 ± 0.005 Å
• b: 7.778 ± 0.007 Å
• c: 15.134 ± 0.013 Å
• α: 79.077 ± 0.012°
• β: 86.606 ± 0.011°
• γ: 85.822 ± 0.012°
• Cell volume: 677 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No