Information card for entry 4128008

Structure parameters

• Formula: C103.49 H58.97 B2 Cl0.51 Cu2 F48 N4 O2.74
• Calculated formula: C103.478 H58.956 B2 Cl0.522 Cu2 F48 N4 O2.739
• Title of publication: Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.
• Authors of publication: Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10159 - 10164
• a: 12.7591 ± 0.0008 Å
• b: 18.1984 ± 0.0011 Å
• c: 24.8985 ± 0.0014 Å
• α: 91.008 ± 0.002°
• β: 93.058 ± 0.002°
• γ: 93.513 ± 0.002°
• Cell volume: 5761 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No