Information card for entry 7716192

Structure parameters

• Formula: C36 H30 Cl4 O2 P2 Ti
• Calculated formula: C36 H30 Cl4 O2 P2 Ti
• Title of publication: Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
• Authors of publication: Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 9.4279 ± 0.0003 Å
• b: 9.5623 ± 0.0003 Å
• c: 10.3638 ± 0.0003 Å
• α: 102.086 ± 0.002°
• β: 108.255 ± 0.002°
• γ: 92.847 ± 0.002°
• Cell volume: 860.92 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0925
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No