Information card for entry 4123532

Structure parameters

• Common name: (12-TMC) cobalt(III) nitroxyl perchlorate
• Formula: C12 H28 Cl2 Co N5 O9
• Calculated formula: C12 H28 Cl2 Co N5 O9
• Title of publication: Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.
• Authors of publication: Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 13
• Pages of publication: 4284 - 4287
• a: 9.0049 ± 0.0003 Å
• b: 12.5151 ± 0.0003 Å
• c: 18.9162 ± 0.0005 Å
• α: 90°
• β: 90.136 ± 0.003°
• γ: 90°
• Cell volume: 2131.8 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0639
• 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