Information card for entry 4314678

Structure parameters

• Formula: C30.5 H45.25 Cl N7.25 Ni O6.5
• Calculated formula: C30.5 H45.25 Cl N7.25 Ni O6.5
• Title of publication: O2-Dependent Aliphatic Carbon-Carbon Bond Cleavage Reactivity in a Ni(II) Enolate Complex Having a Hydrogen Bond Donor Microenvironment; Comparison with a Hydrophobic Analogue
• Authors of publication: Katarzyna Grubel; Amy L. Fuller; Bonnie M. Chambers; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1071 - 1081
• a: 32.3396 ± 0.0008 Å
• b: 11.4649 ± 0.0003 Å
• c: 19.4692 ± 0.0003 Å
• α: 90°
• β: 93.1236 ± 0.0014°
• γ: 90°
• Cell volume: 7207.9 ± 0.3 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No