Information card for entry 4507647

Structure parameters

• Formula: C56 H36 N10 O8 Sn
• Calculated formula: C56 H36 N10 O8 Sn
• SMILES: c12=C(c3ccncc3)c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Sn](n56)([n]78)([n]34)(OC(=O)c1cc(C(=O)O)cc(c1)N)OC(=O)c1cc(C(=O)O)cc(c1)N)c1ccncc1)c1ccncc1)c1ccncc1
• 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: 8.9854 ± 0.0003 Å
• b: 11.4407 ± 0.0003 Å
• c: 14.6941 ± 0.0004 Å
• α: 91.122 ± 0.001°
• β: 93.739 ± 0.001°
• γ: 95.604 ± 0.001°
• Cell volume: 1499.61 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No