Information card for entry 4128009

Structure parameters

• Formula: C68 H37 B Cu2 F30 N4 O2
• Calculated formula: C68 H37 B Cu2 F30 N4 O2
• 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: 12.8267 ± 0.0006 Å
• b: 16.729 ± 0.0009 Å
• c: 18.0934 ± 0.0009 Å
• α: 102.584 ± 0.002°
• β: 97.674 ± 0.002°
• γ: 91.056 ± 0.002°
• Cell volume: 3750.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0474
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No