Information card for entry 7015244

Structure parameters

• Formula: C22 H36 Cl2 O3 Si2 Ti2
• Calculated formula: C22 H36 Cl2 O3 Si2 Ti2
• SMILES: [Ti]123456(O[Ti]789%10(Cl)(O[Si]([c]%113[c]4([c]5([c]6([c]2%11C)C)C)C)(C)C)[c]2([Si](O1)(C)C)[c]8([c]9([c]%10([c]72C)C)C)C)Cl
• Title of publication: Synthesis and structural characterization of novel tetranuclear organotitanoxane derivatives.
• Authors of publication: Ventura, María; Ramírez de Arellano, Carmen; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5728 - 5733
• a: 10.842 ± 0.003 Å
• b: 14.871 ± 0.004 Å
• c: 16.541 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No