Information card for entry 8107263

Structure parameters

• Formula: C36 H38 N2 O12 Ti2
• Calculated formula: C36 H38 N2 O12 Ti2
• Title of publication: Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
• Authors of publication: Youzhu, Yu; Hui, Wang; Leilei, Li; Yuhua, Guo; Jing, Feng; Yichao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 957 - 959
• a: 10.3151 ± 0.0007 Å
• b: 15.8747 ± 0.0011 Å
• c: 11.502 ± 0.0008 Å
• α: 90°
• β: 98.471 ± 0.003°
• γ: 90°
• Cell volume: 1862.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No