Information card for entry 7711562

Structure parameters

• Formula: C36 H62 Cl6 O4 P4 Ti2
• Calculated formula: C36 H62 Cl6 O4 P4 Ti2
• Title of publication: Synthesis and reactivity of titanium ‘POCOP’ pincer complexes
• Authors of publication: Webster, Leah; Krämer, Tobias; Chadwick, F. Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.9525 ± 0.0003 Å
• b: 13.0318 ± 0.0002 Å
• c: 15.1944 ± 0.0004 Å
• α: 90°
• β: 101.44 ± 0.002°
• γ: 90°
• Cell volume: 2319.7 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0656
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections: 0.1729
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5275
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No