Information card for entry 7704435

Structure parameters

• Formula: C45 H38.5 Cl2 N11.5 Ni O8
• Calculated formula: C45 H38.5 Cl2 N11.5 Ni O8
• Title of publication: N₃-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O₂ reactivity.
• Authors of publication: Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7564 - 7575
• a: 12.2882 ± 0.0013 Å
• b: 19.219 ± 0.002 Å
• c: 19.786 ± 0.002 Å
• α: 87.747 ± 0.003°
• β: 77.34 ± 0.003°
• γ: 77.49 ± 0.003°
• Cell volume: 4450.8 ± 0.8 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No