Information card for entry 2003464

Structure parameters

• Chemical name: (2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratoanganese(III)
• Formula: C36 H44 Cl Mn N4 O4
• Calculated formula: C36 H44 Cl Mn N4 O4
• SMILES: [Mn]123(n4c5=Cc6[n]3c(=Cc3n2c(c(c3CC)CC)C=c2[n]1c(c(c2CC)CC)C=c4c(c5CC)CC)c(c6CC)CC)OCl(=O)(=O)=O
• Title of publication: (2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III)
• Authors of publication: Cheng, B.; Scheidt, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 825 - 828
• a: 13.457 ± 0.001 Å
• b: 14.082 ± 0.002 Å
• c: 18.845 ± 0.001 Å
• α: 90°
• β: 105.86 ± 0.01°
• γ: 90°
• Cell volume: 3435.2 ± 0.6 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No