Information card for entry 4109955

Structure parameters

• Formula: C80 H97 N6 Ni O12
• Calculated formula: C80 H97 N6 Ni O12
• SMILES: [Ni]123[N](=Cc4cccc(c4O2)C(=O)Nc2cccc(C(=O)OCCCCCCCCCCCC)c2NC(=O)c2cccc4[C@@H](COc24)C)[C@H]2CCCC[C@@H]2[N]1=Cc1cccc(c1O3)C(=O)Nc1cccc(c1NC(=O)c1cccc2c1OC[C@H]2C)C(=O)OCCCCCCCCCCCC
• Title of publication: trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel-Salen Complexes
• Authors of publication: Zhenzhen Dong; Glenn P. A. Yap; Joseph M. Fox
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11850 - 11853
• a: 14.797 ± 0.004 Å
• b: 14.844 ± 0.004 Å
• c: 32.462 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7130 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No