Information card for entry 4076733

Structure parameters

• Formula: C33 H43 Cl2 Mn N3
• Calculated formula: C33 H43 Cl2 Mn N3
• SMILES: [Mn]12(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Mono- and Zerovalent Manganese Alkyl Complexes Supported by the α,α‘-Diiminato Pyridine Ligand: Alkyl Stabilization at the Expense of Catalytic Performance
• Authors of publication: Reardon, Damien; Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 786
• a: 8.741 ± 0.002 Å
• b: 9.793 ± 0.002 Å
• c: 20.843 ± 0.005 Å
• α: 82.333 ± 0.004°
• β: 88.424 ± 0.005°
• γ: 65.987 ± 0.004°
• Cell volume: 1614.5 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No