Information card for entry 7201248

Structure parameters

• Formula: C70 H48 Cl6 N8 O9 Zn
• Calculated formula: C64 H44 Cl4 N8 O9 Zn
• Title of publication: Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids
• Authors of publication: Koner, Rajesh; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1217
• a: 18.496 ± 0.0002 Å
• b: 20.2741 ± 0.0004 Å
• c: 18.6398 ± 0.0003 Å
• α: 90°
• β: 114.095 ± 0.001°
• γ: 90°
• Cell volume: 6380.71 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No