Information card for entry 7201249

Structure parameters

• Formula: C68 H60 Cl12 N8 O16
• Calculated formula: C68 H60 Cl12 N8 O16
• 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: 10.3866 ± 0.0003 Å
• b: 13.9603 ± 0.0006 Å
• c: 14.2042 ± 0.0006 Å
• α: 78.039 ± 0.002°
• β: 73.847 ± 0.002°
• γ: 68.884 ± 0.002°
• Cell volume: 1832.25 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No