Information card for entry 7120732

Structure parameters

• Formula: C110 H115 N11 Zn2
• Calculated formula: C110 H115 N11 Zn2
• Title of publication: Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays
• Authors of publication: Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 24.0135 ± 0.0016 Å
• b: 27.685 ± 0.002 Å
• c: 41.457 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27561 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No