Information card for entry 7706776

Structure parameters

• Formula: C40 H46 F10 N4 O4 Si Ti2
• Calculated formula: C40 H46 F10 N4 O4 Si Ti2
• Title of publication: Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.
• Authors of publication: Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4396 - 4407
• a: 8.8857 ± 0.0004 Å
• b: 13.0733 ± 0.0005 Å
• c: 18.4231 ± 0.0011 Å
• α: 84.872 ± 0.004°
• β: 82.208 ± 0.004°
• γ: 73.277 ± 0.004°
• Cell volume: 2027.83 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No