Information card for entry 7051936

Structure parameters

• Common name: cNO3
• Formula: C14 H16 Cu N6 O7
• Calculated formula: C14 H16 Cu N6 O7
• Title of publication: Influence of the metal-to-ligand ratio on the formation of metal organic complexes
• Authors of publication: Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 813
• a: 9.841 ± 0.004 Å
• b: 8.311 ± 0.003 Å
• c: 21.919 ± 0.008 Å
• α: 90°
• β: 101.047 ± 0.007°
• γ: 90°
• Cell volume: 1759.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1086
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No