Information card for entry 7051569

Structure parameters

• Formula: C43.25 H31.5 N6 O3.5 Zn
• Calculated formula: C43.25 H25 N6 O3.5 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: 37.961 ± 0.002 Å
• b: 9.2045 ± 0.0005 Å
• c: 24.5855 ± 0.0016 Å
• α: 90°
• β: 118.492 ± 0.004°
• γ: 90°
• Cell volume: 7550 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.155
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No