Information card for entry 7053198

Structure parameters

• Formula: C54 H42 N6 O2 Zn
• Calculated formula: C54 H42 N6 O2 Zn
• Title of publication: Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units
• Authors of publication: Marets, N.; Bulach, V.; Hosseini, M. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3549
• a: 10.9454 ± 0.0003 Å
• b: 17.1422 ± 0.0006 Å
• c: 11.7118 ± 0.0004 Å
• α: 90°
• β: 99.639 ± 0.002°
• γ: 90°
• Cell volume: 2166.44 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No