Information card for entry 7212254

Structure parameters

• Formula: C48 H36 Mn3 N8 O20
• Calculated formula: C48 H36 Mn3 N8 O20
• 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: 13.287 ± 0.002 Å
• b: 11.6791 ± 0.0018 Å
• c: 16.141 ± 0.003 Å
• α: 90°
• β: 90.408 ± 0.002°
• γ: 90°
• Cell volume: 2504.7 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No