Information card for entry 7051568

Structure parameters

• Formula: C43 H30 N6 O Zn
• Calculated formula: C43 H21 N6 O Zn
• Title of publication: Molecular tectonics: coordination networks based on porphyrins bearing pyridine N-oxide groups as coordinating sites
• Authors of publication: Deiters, Emmanuel; Bulach, Véronique; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 1508
• a: 11.3493 ± 0.0015 Å
• b: 13.7663 ± 0.0017 Å
• c: 22.097 ± 0.004 Å
• α: 90°
• β: 100.786 ± 0.006°
• γ: 90°
• Cell volume: 3391.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No