Information card for entry 7061731

Structure parameters

• Formula: C18 H16 Mn N10 O4
• Calculated formula: C18 H16 Mn N10 O4
• Title of publication: Syntheses, crystal structures and thermal decomposition studies of two novel Mn(ii)-MOFs with tetrazole-based carboxylic acids
• Authors of publication: Yang, Jie; Hou, Tianjiao; Zhang, Shunlin; Zhu, Dunru
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 15434 - 15442
• a: 4.91 ± 0.0018 Å
• b: 12.571 ± 0.005 Å
• c: 16.324 ± 0.006 Å
• α: 90°
• β: 98.041 ± 0.007°
• γ: 90°
• Cell volume: 997.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No