Information card for entry 7247462

Structure parameters

• Formula: C26 H36 Mn2 N8 O12
• Calculated formula: C26 H36 Mn2 N8 O12
• Title of publication: Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
• Authors of publication: Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 47
• Pages of publication: 6539 - 6548
• a: 9.1364 ± 0.0001 Å
• b: 16.5273 ± 0.0003 Å
• c: 21.5295 ± 0.0003 Å
• α: 90°
• β: 101.798 ± 0.001°
• γ: 90°
• Cell volume: 3182.28 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No