Information card for entry 8104861

Structure parameters

• Formula: C44 H52 O14 Ti2
• Calculated formula: C44 H52 O14 Ti2
• Title of publication: Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3 O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
• Authors of publication: Youzhu, Yu; Yuhua, Guo; Yongsheng, Niu; Nana, Liu; Hongfei, Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 467 - 469
• a: 15.0005 ± 0.0007 Å
• b: 15.9478 ± 0.0008 Å
• c: 18.4438 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4412.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No