Information card for entry 7051567

Structure parameters

• Formula: C176 H140 N24 O18 Zn4
• Calculated formula: C176 H84 N24 O18 Zn4
• 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: 12.0889 ± 0.0004 Å
• b: 10.0599 ± 0.0004 Å
• c: 31.2347 ± 0.0011 Å
• α: 90°
• β: 98.449 ± 0.002°
• γ: 90°
• Cell volume: 3757.3 ± 0.2 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: 0.1401
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No