Information card for entry 4306018

Structure parameters

• Formula: C43 H48 Cl N5 Ni O8
• Calculated formula: C43 H48 Cl N5 Ni O8
• Title of publication: A Trinuclear Nickel(II) Enediolate Complex: Synthesis, Characterization, and O2 Reactivity
• Authors of publication: Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10832 - 10840
• a: 11.6202 ± 0.0003 Å
• b: 23.7494 ± 0.0004 Å
• c: 15.1919 ± 0.0004 Å
• α: 90°
• β: 95.942 ± 0.0011°
• γ: 90°
• Cell volume: 4170.03 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No