Information card for entry 7034897

Structure parameters

• Common name: [Mn(TpivPP)(1-MeIm)]THF
• Formula: C72 H78 Mn N10 O5
• Calculated formula: C72 H78 Mn N10 O5
• 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: 18.5263 ± 0.0006 Å
• b: 19.3393 ± 0.0006 Å
• c: 18.2222 ± 0.0004 Å
• α: 90°
• β: 90.283 ± 0.002°
• γ: 90°
• Cell volume: 6528.7 ± 0.3 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No