Information card for entry 7060442

Structure parameters

• Formula: C55 H48 Mn2 N13 O10
• Calculated formula: C55 H48 Mn2 N13 O10
• Title of publication: Construction of a series of metal-directed MOFs to explore their physical and chemical properties
• Authors of publication: Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6438 - 6449
• a: 27.0143 ± 0.0015 Å
• b: 10.0527 ± 0.0006 Å
• c: 20.5229 ± 0.0012 Å
• α: 90°
• β: 111.043 ± 0.002°
• γ: 90°
• Cell volume: 5201.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1095
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No