Information card for entry 7052246

Structure parameters

• Formula: C28 H34 Cu2 N4 O12
• Calculated formula: C27 H25 Cu2 N4 O12
• Title of publication: Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties
• Authors of publication: Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 683
• a: 33.799 ± 0.001 Å
• b: 12.7452 ± 0.0005 Å
• c: 8.5671 ± 0.0005 Å
• α: 90°
• β: 95.297 ± 0.005°
• γ: 90°
• Cell volume: 3674.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.188
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for all reflections: 0.29
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections: 1.902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No