Information card for entry 4503634

Structure parameters

• Formula: C5 H11 Mg N O6
• Calculated formula: C5 H3 Mg N0.99 O6
• Title of publication: Phase Transitions and CO2Adsorption Properties of Polymeric Magnesium Formate
• Authors of publication: Rossin, Andrea; Ienco, Andrea; Costantino, Ferdinando; Montini, Tiziano; Di Credico, Barbara; Caporali, Maria; Gonsalvi, Luca; Fornasiero, Paolo; Peruzzini, Maurizio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3302
• a: 8.149 ± 0.003 Å
• b: 8.149 ± 0.003 Å
• c: 22.598 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1299.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No