Information card for entry 7223136

Structure parameters

• Common name: MnTECP
• Chemical name: 5,10,15,20-tetrakis(ethyloxycarbonyl)porphyrin manganese(III) chloride
• Formula: C32 H28 Cl Mn N4 O8
• Calculated formula: C32 H28 Cl Mn N4 O8
• SMILES: [Mn]123(Cl)[n]4c5C(=c6n2c(=C(c2[n]1c(=C(c1n3c(C(=c4cc5)C(=O)OCC)cc1)C(=O)OCC)cc2)C(=O)OCC)cc6)C(=O)OCC
• Title of publication: Crystal Structure, Magnetic and Catalytic Oxidation Property of Manganese(III) Tetrakis(ethoxycarbonyl)porphyrin
• Authors of publication: Wang, Hua-Hua; Yuan, Hui-Qing; Mahmood, Mian HR; Jiang, Yi-Yu; Cheng, Fan; Shi, Lei; Liu, Hai-Yang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.9631 ± 0.0004 Å
• b: 9.688 ± 0.0003 Å
• c: 21.4177 ± 0.0005 Å
• α: 90°
• β: 100.638 ± 0.002°
• γ: 90°
• Cell volume: 3051.4 ± 0.15 ų
• Cell temperature: 151 ± 5 K
• Ambient diffraction temperature: 151 ± 5 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: 0.0454
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No