Information card for entry 7034226

Structure parameters

• Formula: C27 H65 Cl3 O10 Sn Ti2
• Calculated formula: C27 H65 Cl3 O10 Sn Ti2
• SMILES: C(C)(C)O[Sn]1([O](C(C)C)[Ti]2([O]1[Ti](OC(C)C)([OH]C(C)C)(OC(C)C)([OH]C(C)C)[O]2C(C)C)(OC(C)C)OC(C)C)(Cl)(Cl)Cl
• Title of publication: A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6848 - 6862
• a: 11.5427 ± 0.0009 Å
• b: 19.876 ± 0.002 Å
• c: 18.166 ± 0.001 Å
• α: 90°
• β: 101.309 ± 0.008°
• γ: 90°
• Cell volume: 4086.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.1729
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9784
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No