Information card for entry 4133966

Structure parameters

• Common name: [mC]Zn(O2N)(ClO4)
• Formula: C33 H45 Cl N6 O9 Zn
• Calculated formula: C33 H45 Cl N6 O9 Zn
• 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: 21.826 ± 0.002 Å
• b: 14.923 ± 0.0015 Å
• c: 21.694 ± 0.002 Å
• α: 90°
• β: 104.035 ± 0.003°
• γ: 90°
• Cell volume: 6855 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No