Information card for entry 4502045

Structure parameters

• Formula: C50 H50 Cl2 N14 O24 Yb2
• Calculated formula: C50 H50 Cl2 N14 O24 Yb2
• 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: 8.8667 ± 0.0001 Å
• b: 10.5938 ± 0.0002 Å
• c: 17.8796 ± 0.0004 Å
• α: 99.0766 ± 0.0007°
• β: 96.6727 ± 0.0007°
• γ: 105.937 ± 0.0012°
• Cell volume: 1572.04 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No