Information card for entry 4121875

Structure parameters

• Formula: C4 H9 Mn N3 O6
• Calculated formula: C4 H9 Mn N3 O6
• Title of publication: Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.
• Authors of publication: Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 22
• Pages of publication: 7801
• a: 8.5538 ± 0.0003 Å
• b: 12.0096 ± 0.0004 Å
• c: 9.0457 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 929.24 ± 0.05 ų
• Cell temperature: 393 ± 0.14 K
• Ambient diffraction temperature: 393 ± 0.14 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: 0.0313
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No