Information card for entry 4507646

Structure parameters

• Formula: C66 H58 N8 O16 S4 Sn
• Calculated formula: C66 H58 N8 O16 S4 Sn
• SMILES: c12ccc3C(=c4ccc5C(=c6ccc7=C(c8ccc(=C1c1ccncc1)[n]8[Sn](OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)(n67)(n23)([n]45)OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)c1ccncc1)c1ccncc1)c1ccncc1.S(=O)(C)C.CS(C)=O.CS(C)=O.CS(C)=O
• 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: 9.755 ± 0.0002 Å
• b: 11.6924 ± 0.0003 Å
• c: 14.915 ± 0.0004 Å
• α: 102.883 ± 0.0011°
• β: 94.2657 ± 0.0012°
• γ: 91.9333 ± 0.0016°
• Cell volume: 1651.56 ± 0.07 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: 0.0787
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No