Information card for entry 7203683

Structure parameters

• Chemical name: Manganese di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate
• Formula: C16 H20 Mn O12 P2
• Calculated formula: C16 H20 Mn O12 P2
• Title of publication: High-throughput investigation of metal carboxyarylphosphonate hybrid compounds
• Authors of publication: Stock, Norbert; Bein, Thomas
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 1384
• a: 4.6198 ± 0.0001 Å
• b: 5.9379 ± 0.0002 Å
• c: 18.0676 ± 0.0002 Å
• α: 83.119 ± 0.002°
• β: 88.307 ± 0.002°
• γ: 84.461 ± 0.002°
• Cell volume: 489.68 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0519
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No