Information card for entry 1563538

Structure parameters

• Formula: C40.03 H46.03 N4 O4 S2 Ti
• Calculated formula: C40.028 H46.026 N4 O4 S2 Ti
• Title of publication: Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide
• Authors of publication: Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 27
• Pages of publication: 3953 - 3967
• a: 17.719 ± 0.0009 Å
• b: 10.8186 ± 0.0005 Å
• c: 21.7958 ± 0.0011 Å
• α: 90°
• β: 93.293 ± 0.002°
• γ: 90°
• Cell volume: 4171.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.073
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No