Information card for entry 7150184

Structure parameters

• Formula: C30 H32 F6 N2 Ni O8 S2
• Calculated formula: C30 H32 F6 N2 Ni O8 S2
• SMILES: [Ni]1(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH2])([OH2])[NH]([C@H]([C@@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1.[Ni]1(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH2])([OH2])[NH]([C@@H]([C@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.
• Authors of publication: Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 2910 - 2913
• a: 11.503 ± 0.008 Å
• b: 15.7 ± 0.02 Å
• c: 18.53 ± 0.01 Å
• α: 90°
• β: 92.82 ± 0.03°
• γ: 90°
• Cell volume: 3342 ± 5 ų
• Cell temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No