Information card for entry 7247459

Structure parameters

• Formula: C9 H10 Mn N4 O6
• Calculated formula: C9 H10 Mn N4 O6
• 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: 14.414 ± 0.003 Å
• b: 10.48 ± 0.002 Å
• c: 7.74 ± 0.0015 Å
• α: 90°
• β: 105.64 ± 0.03°
• γ: 90°
• Cell volume: 1125.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No