Information card for entry 1548424

Structure parameters

• Formula: C18 H17 Cu N5 O5
• Calculated formula: C19 H16 Cu N5 O5
• Title of publication: An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex
• Authors of publication: Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes
• Journal of publication: Royal Society Open Science
• Year of publication: 2017
• Journal volume: 4
• Pages of publication: 170593
• a: 8.7123 ± 0.0017 Å
• b: 8.7388 ± 0.0017 Å
• c: 14.342 ± 0.003 Å
• α: 72.586 ± 0.004°
• β: 73.955 ± 0.004°
• γ: 62.928 ± 0.004°
• Cell volume: 915 ± 0.3 ų
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No