Information card for entry 7052245

Structure parameters

• Formula: C30 H36 Cu2 N4 O12 S2
• Calculated formula: C30 H36 Cu2 N4 O12 S2
• 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: 8.2271 ± 0.0002 Å
• b: 14.3223 ± 0.0003 Å
• c: 15.7025 ± 0.0004 Å
• α: 76.877 ± 0.004°
• β: 89.004 ± 0.004°
• γ: 82.816 ± 0.004°
• Cell volume: 1787.66 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections: 2.438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No