Information card for entry 4346634

Structure parameters

• Common name: Tufan_3_139
• Formula: C25 H29 Cl6 Mn N5
• Calculated formula: C25 H29 Cl6 Mn N5
• SMILES: CC1c2cccc3[n]2[Mn]([N]=1CCc1ccccn1)([N](=C3C)CCc1ccccn1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: A Pentacoordinate Mn(II) Precatalyst That Exhibits Notable Aldehyde and Ketone Hydrosilylation Turnover Frequencies.
• Authors of publication: Ghosh, Chandrani; Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10398 - 10406
• a: 12.389 ± 0.005 Å
• b: 9.757 ± 0.004 Å
• c: 25.458 ± 0.01 Å
• α: 90°
• β: 96.61 ± 0.006°
• γ: 90°
• Cell volume: 3057 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0722
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No