Information card for entry 4502040

Structure parameters

• Formula: C40 H24 Cl2 N8 Sn
• Calculated formula: C40 H24 Cl2 N8 Sn
• SMILES: c1c2=C(c3ccc4=C(c5cnccc5)c5ccc6C(=c7ccc8C(=c(n2[Sn]([n]34)(Cl)(Cl)(n56)[n]78)c1)c1cnccc1)c1cnccc1)c1cnccc1
• 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: 11.2219 ± 0.0006 Å
• b: 12.9085 ± 0.0006 Å
• c: 12.6121 ± 0.0004 Å
• α: 90°
• β: 114.007 ± 0.003°
• γ: 90°
• Cell volume: 1668.92 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No