Information card for entry 2022165

Structure parameters

• Common name: [Mn(3+)Cl(tetra-3-pyridinyl-21H,23H-Porphine(2-))]
• Chemical name: <i>catena</i>-Poly[[chloridomanganese(III)]-μ~2~-5,10,15,20-tetrakis(pyridin-3-yl)-21<i>H</i>,23<i>H</i>-porphinato(2-)-κ^5^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^:<i>N</i>^5^]
• Formula: C40 H24 Cl Mn N8
• Calculated formula: C40 H24 Cl Mn N8
• Title of publication: A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties
• Authors of publication: Wen-Tong Chen
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 375 - 380
• a: 9.5189 ± 0.0004 Å
• b: 14.245 ± 0.0005 Å
• c: 23.4079 ± 0.0009 Å
• α: 90°
• β: 95.92 ± 0.003°
• γ: 90°
• Cell volume: 3157.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes