Information card for entry 7208061

Structure parameters

• Formula: C4 H9 Mg N3 O6
• Calculated formula: C4 H9 Mg N3 O6
• Title of publication: Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding
• Authors of publication: Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4454
• a: 8.391 ± 0.002 Å
• b: 11.831 ± 0.002 Å
• c: 8.842 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 877.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.3236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No