Information card for entry 7050064

Structure parameters

• Formula: C37 H52 Cu2 N4 O14
• Calculated formula: C37 H44 Cu2 N4 O14
• 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: 8.6452 ± 0.0002 Å
• b: 11.4949 ± 0.0003 Å
• c: 12.4095 ± 0.0003 Å
• α: 108.692 ± 0.002°
• β: 93.096 ± 0.002°
• γ: 107.264 ± 0.002°
• Cell volume: 1100.27 ± 0.05 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: 0.0827
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No