Information card for entry 2204803

Structure parameters

• Chemical name: μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]
• Formula: C68 H78 F4 O4 Sn2
• Calculated formula: C68 H78 F4 O4 Sn2
• SMILES: C(C(C)(C)c1ccccc1)[Sn](OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
• Title of publication: μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]
• Authors of publication: Tian, Lai-Jin; Sun, Yu-Xi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1752 - m1753
• a: 14.4124 ± 0.0006 Å
• b: 12.583 ± 0.0006 Å
• c: 17.9361 ± 0.0008 Å
• α: 90°
• β: 104.833 ± 0.001°
• γ: 90°
• Cell volume: 3144.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes