Information card for entry 7015245

Structure parameters

• Formula: C44 H72 O8 Si4 Ti4
• Calculated formula: C44 H72 O8 Si4 Ti4
• SMILES: C[Si]1(C)[c]23[c]4([c]5([c]6([c]2(C)[Ti]273456O[Ti]34568([c]9([c]6([c]5([c]4([c]39C)C)C)C)[Si](C)(C)O[Ti]34569([c]%10([c]6([c]5([c]4([c]3%10C)C)C)C)[Si](C)(C)O[Ti]3456([c]%10([c]3([c]4([c]5([c]6%10C)C)C)C)[Si](C)(C)O7)(O9)O2)O8)O1)C)C)C
• 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: 12.606 ± 0.002 Å
• b: 12.609 ± 0.003 Å
• c: 17.202 ± 0.004 Å
• α: 84.349 ± 0.018°
• β: 82.941 ± 0.016°
• γ: 84.089 ± 0.017°
• Cell volume: 2688.9 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No