Information card for entry 4515593

Structure parameters

• Formula: C31 H45 Cl2 Co Li N2 O2
• Calculated formula: C31 H45 Cl2 Co Li N2 O2
• SMILES: C1(C)=[N](c2c(cc(cc2C)C)C)[Co]2(N(C(=C1)C)c1c(cc(cc1C)C)C)[Cl][Li]([Cl]2)([O]1CCCC1)[O]1CCCC1
• Title of publication: Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines
• Authors of publication: Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 4446
• a: 12.0633 ± 0.0003 Å
• b: 12.0633 ± 0.0003 Å
• c: 21.8421 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3178.53 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No