Information card for entry 7034898

Structure parameters

• Common name: [Mn(TpivPP)(1-EtIm)]CH2Cl2
• Formula: C70 H74 Cl2 Mn N10 O4
• Calculated formula: C70 H74 Cl2 Mn N10 O4
• Title of publication: Geometric and electronic structures of five-coordinate manganese(ii) "picket fence" porphyrin complexes.
• Authors of publication: Yu, Qiang; Liu, Yanhong; Liu, Diansheng; Li, Jianfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9382 - 9390
• a: 18.5198 ± 0.0007 Å
• b: 19.3485 ± 0.0006 Å
• c: 18.1151 ± 0.0007 Å
• α: 90°
• β: 90.559 ± 0.001°
• γ: 90°
• Cell volume: 6490.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No