Information card for entry 4133965

Structure parameters

• Common name: [mC]Cu(O2N)(ClO4)
• Formula: C33 H45.35 Cl Cu N6 O9.17
• Calculated formula: C33 H45.348 Cl Cu N6 O9.174
• Title of publication: Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.
• Authors of publication: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 1726 - 1730
• a: 12.2345 ± 0.0019 Å
• b: 12.3329 ± 0.0018 Å
• c: 13.275 ± 0.002 Å
• α: 112.421 ± 0.004°
• β: 110.003 ± 0.005°
• γ: 96.959 ± 0.005°
• Cell volume: 1665.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No