Information card for entry 4128010

Structure parameters

• Formula: C108 H78 B2 Cu2 F48 N5 O8
• Calculated formula: C108 H40 B2 Cu2 F48 N5 O7.598
• 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: 12.6825 ± 0.0015 Å
• b: 17.1535 ± 0.0019 Å
• c: 17.278 ± 0.002 Å
• α: 61.744 ± 0.003°
• β: 77.29 ± 0.004°
• γ: 85.224 ± 0.004°
• Cell volume: 3228.8 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1531
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No