Information card for entry 4331197

Structure parameters

• Formula: C33 H39 Cl2 N5 O2
• Calculated formula: C33 H39 Cl2 N5 O2
• SMILES: ClCCl.O([C@@H]1c2nc(N=C3NC(=Nc4nc5c(c(c4)C)CC[C@@H]5OCC)c4c3cc(c(c4)C)C)cc(c2CC1)C)CC
• Title of publication: Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation
• Authors of publication: Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12948 - 12958
• a: 8.04522 ± 0.00017 Å
• b: 13.33 ± 0.0003 Å
• c: 15.0284 ± 0.0003 Å
• α: 89.4843 ± 0.0017°
• β: 74.9208 ± 0.0019°
• γ: 88.9335 ± 0.0017°
• Cell volume: 1555.91 ± 0.06 ų
• Cell temperature: 119.9 ± 0.3 K
• Ambient diffraction temperature: 119.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No