Information card for entry 7212255

Structure parameters

• Formula: C42 H40 Mn3 N6 O24
• Calculated formula: C42 H40 Mn3 N6 O24
• Title of publication: Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands
• Authors of publication: Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1439
• a: 8.132 ± 0.005 Å
• b: 8.361 ± 0.005 Å
• c: 17.745 ± 0.011 Å
• α: 80.079 ± 0.006°
• β: 80.508 ± 0.006°
• γ: 82.299 ± 0.006°
• Cell volume: 1165.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No