Information card for entry 1563022

Structure parameters

• Formula: C12 H11 Na O6 P2
• Calculated formula: C12 H11 Na 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: 5.716 ± 0.004 Å
• b: 7.905 ± 0.006 Å
• c: 14.366 ± 0.01 Å
• α: 88.1 ± 0.008°
• β: 84.499 ± 0.008°
• γ: 82.628 ± 0.007°
• Cell volume: 640.7 ± 0.8 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: 0.1469
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No