Information card for entry 4502043

Structure parameters

• Formula: C40 H24 Cu5 I4 N8
• Calculated formula: C40 H24 Cu5 I4 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: 15.414 ± 0.0004 Å
• b: 15.414 ± 0.0004 Å
• c: 17.4352 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4142.45 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No