Information card for entry 7235654

Structure parameters

• Formula: C3 H7 Mn N O6
• Calculated formula: C3 H7.8 Mn N O6
• Title of publication: Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism
• Authors of publication: Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 39
• Pages of publication: 20605
• a: 12.3309 ± 0.0007 Å
• b: 12.331 Å
• c: 12.331 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.96 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No