Information card for entry 4507649

Structure parameters

• Formula: C56 H32 Br2 N8 O8 Sn
• Calculated formula: C56 H32 Br2 N8 O8 Sn
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Sn]([n]78)(OC(=O)c1cc(Br)cc(c1)C(=O)O)(n56)([n]34)OC(=O)c1cc(Br)cc(c1)C(=O)O)c1cnccc1)c1cnccc1)c1cnccc1)c1cnccc1
• Title of publication: Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands
• Authors of publication: Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1342
• a: 25.487 ± 0.0012 Å
• b: 12.271 ± 0.0007 Å
• c: 21.9787 ± 0.0018 Å
• α: 90°
• β: 120.463 ± 0.001°
• γ: 90°
• Cell volume: 5925 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No