Information card for entry 7050063

Structure parameters

• Formula: C16 H22 Cu N2 O7
• Calculated formula: C16 H22 Cu N2 O7
• Title of publication: Molecular tectonics: design of coordinating tectons based on diazamacrocycles bearing pyridine units and formation of 1D copper coordination networks
• Authors of publication: Graf, Ernest; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 343
• a: 8.8868 ± 0.0006 Å
• b: 9.972 ± 0.0007 Å
• c: 10.5256 ± 0.0008 Å
• α: 75.286 ± 0.003°
• β: 81.777 ± 0.003°
• γ: 85.916 ± 0.003°
• Cell volume: 892.31 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No