Information card for entry 7247461

Structure parameters

• Formula: C23.5 H18.83 Mn N4.83 O4.83
• Calculated formula: C23.4999 H18.8331 Mn N4.8333 O4.8333
• 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: 23.2881 ± 0.0007 Å
• b: 10.4868 ± 0.0002 Å
• c: 24.8587 ± 0.0008 Å
• α: 90°
• β: 114.461 ± 0.004°
• γ: 90°
• Cell volume: 5526 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2457
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No