Information card for entry 4502041

Structure parameters

• Formula: C40 H24 Cu N8
• Calculated formula: C40 H24 Cu N8
• Title of publication: Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering
• Authors of publication: Lipstman, Sophia; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4596
• a: 13.0346 ± 0.0002 Å
• b: 16.576 ± 0.0003 Å
• c: 14.3933 ± 0.0002 Å
• α: 90°
• β: 108.687 ± 0.0011°
• γ: 90°
• Cell volume: 2945.9 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No