Information card for entry 7112043

Structure parameters

• Common name: Complex 2_py_2
• Formula: C67 H107 N3 O2 Si4 Ti2
• Calculated formula: C67 H107 N3 O2 Si4 Ti2
• Title of publication: Reductive deoxygenation of CO2 by a bimetallic titanium bis(pentalene) complex
• Authors of publication: Alexander F. R. Kilpatrick; F. Geoffrey N. Cloke
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2769
• a: 13.7134 ± 0.0006 Å
• b: 16.0497 ± 0.0006 Å
• c: 18.5403 ± 0.0006 Å
• α: 85.689 ± 0.003°
• β: 86.517 ± 0.003°
• γ: 66.63 ± 0.004°
• Cell volume: 3733.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No