Information card for entry 1566595

Structure parameters

• Chemical name: (Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate
• Formula: C77 H83 Cl4 K Mn N6 O8 S
• Calculated formula: C77 H83 Cl4 K Mn N6 O8 S
• Title of publication: ([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate
• Authors of publication: Yuan, Yiwen; Li, Jianfeng
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: x220241
• a: 19.5585 ± 0.0008 Å
• b: 24.7224 ± 0.001 Å
• c: 29.8538 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14435.3 ± 1 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes