Information card for entry 4305112

Structure parameters

• Formula: C44 H72 Cl2 O7 Si4 Ti4
• Calculated formula: C44 H72 Cl2 O7 Si4 Ti4
• SMILES: [Ti]123456(O[Ti]789%10(O[Si](C)(C)[c]%113[c]1([c]6([c]5([c]4%11C)C)C)C)(Cl)[c]1([Si](O2)(C)C)[c]8([c]9([c]%10([c]71C)C)C)C)O[Ti]123456O[Ti]789%10(O[Si](C)(C)[c]%113[c]4([c]5([c]6([c]%111C)C)C)C)(Cl)[c]1([Si](O2)(C)C)[c]8([c]9([c]%10([c]71C)C)C)C
• Title of publication: Organotitanoxanes with Unique Structure among Transition-Element Organometallic Oxide Derivatives
• Authors of publication: Olga Buitrago; Marta E. G. Mosquera; Gerardo Jiménez; Tomás Cuenca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3940 - 3942
• a: 12.911 ± 0.003 Å
• b: 18.958 ± 0.0017 Å
• c: 22.923 ± 0.005 Å
• α: 90°
• β: 105.61 ± 0.01°
• γ: 90°
• Cell volume: 5403.8 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No