Information card for entry 1566849

Structure parameters

• Chemical name: Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)
• Formula: C50 H38 Mn N5 O3
• Calculated formula: C50 H38 Mn N5 O3
• Title of publication: Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)
• Authors of publication: Cao, Hongli; Wang, Junwen; Li, Jianfeng
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 4
• Pages of publication: x220386
• a: 20.1021 ± 0.001 Å
• b: 21.5505 ± 0.0009 Å
• c: 17.9807 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7789.4 ± 0.6 ų
• Cell temperature: 100.08 K
• Ambient diffraction temperature: 100.08 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes