Information card for entry 7128693

Structure parameters

• Formula: C48 H32 Mn2 N4 O12
• Calculated formula: C48 H32 Mn2 N4 O12
• Title of publication: High loading of Mn(ii)-metalated porphyrin in a MOF for photocatalytic CO₂ reduction in gas-solid conditions.
• Authors of publication: Qin, Jian-Hua; Xu, Peng; Huang, Ya-Dan; Xiao, Lu-Yao; Lu, Weiwei; Yang, Xiao-Gang; Ma, Lu-Fang; Zang, Shuang-Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 68
• Pages of publication: 8468 - 8471
• a: 14.0571 ± 0.0005 Å
• b: 17.3975 ± 0.0006 Å
• c: 13.7185 ± 0.0005 Å
• α: 90°
• β: 106.085 ± 0.004°
• γ: 90°
• Cell volume: 3223.6 ± 0.2 ų
• Cell temperature: 293.24 ± 0.1 K
• Ambient diffraction temperature: 293.24 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No