Information card for entry 7214549

Structure parameters

• Formula: C4 H8 Mo O7 P
• Calculated formula: C4 H8 Mo O7 P
• Title of publication: A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol
• Authors of publication: Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9301
• a: 20.8424 ± 0.0008 Å
• b: 10.6114 ± 0.0003 Å
• c: 9.0023 ± 0.0004 Å
• α: 90°
• β: 111.686 ± 0.004°
• γ: 90°
• Cell volume: 1850.09 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No