Information card for entry 7061730

Structure parameters

• Formula: C15 H17.75 Mn N9 O6.375
• Calculated formula: C15 H17 Mn N9 O6.375
• 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: 4.868 ± 0.002 Å
• b: 15.479 ± 0.007 Å
• c: 29.45 ± 0.012 Å
• α: 90°
• β: 90.832 ± 0.009°
• γ: 90°
• Cell volume: 2218.9 ± 1.6 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: 0.0933
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No