Information card for entry 4128011

Structure parameters

• Formula: C36 H34 Cu2 F6 N5 O12 S2
• Calculated formula: C35.999 H33.999 Cu2 F6 N5 O12 S2
• 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: 35.132 ± 0.004 Å
• b: 10.4087 ± 0.001 Å
• c: 14.2824 ± 0.0015 Å
• α: 90°
• β: 109.398 ± 0.004°
• γ: 90°
• Cell volume: 4926.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1606
• 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