Information card for entry 7000027

Structure parameters

• Common name: 5,10,15,20-tetraphenylporpholactonato Manganese(III) chloride
• Chemical name: 5,10,15,20-tetraphenylporpholactonato Manganese(III) chloride
• Formula: C44 H27 Cl4 Mn N4 O2
• Calculated formula: C43 H26 Cl Mn N4 O1.288
• Title of publication: Structure and catalytic activity of a manganese(III) tetraphenylporpholactone
• Authors of publication: Anιl Çetin; Christopher J. Ziegler
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 25
• a: 12.031 ± 0.009 Å
• b: 21.864 ± 0.016 Å
• c: 14.551 ± 0.011 Å
• α: 90°
• β: 102.581 ± 0.013°
• γ: 90°
• Cell volume: 3736 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No