Information card for entry 7247460

Structure parameters

• Formula: C21 H23 Mn2 N9 O11
• Calculated formula: C21 H23 Mn2 N9 O11
• 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: 12.318 ± 0.003 Å
• b: 12.9645 ± 0.0013 Å
• c: 9.0482 ± 0.0012 Å
• α: 90°
• β: 107.377 ± 0.015°
• γ: 90°
• Cell volume: 1379 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No