Information card for entry 4130701

Structure parameters

• Formula: C16 H12 Co N5 O
• Calculated formula: C16 H12 Co N5 O
• Title of publication: Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl.
• Authors of publication: Walter, Melody R.; Dzul, Stephen P.; Rodrigues, Andria V.; Stemmler, Timothy L.; Telser, Joshua; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 38
• Pages of publication: 12459 - 12471
• a: 8.7573 ± 0.0007 Å
• b: 9.2971 ± 0.0008 Å
• c: 17.9518 ± 0.0015 Å
• α: 96.322 ± 0.001°
• β: 96.085 ± 0.001°
• γ: 98.476 ± 0.001°
• Cell volume: 1425.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No