Information card for entry 4512935

Structure parameters

• Formula: C54 H30 Br2 I2 N8 O4 Sn
• Calculated formula: C54 H30 Br2 I2 N8 O4 Sn
• Title of publication: Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding
• Authors of publication: Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 3063
• a: 10.4991 ± 0.0007 Å
• b: 12.9238 ± 0.0007 Å
• c: 20.5966 ± 0.0014 Å
• α: 100.132 ± 0.003°
• β: 104.578 ± 0.003°
• γ: 100.979 ± 0.002°
• Cell volume: 2580.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No