Information card for entry 8104556

Structure parameters

• Formula: C28 H27 Cl2 N3 O10 Ti
• Calculated formula: C28 H27 Cl2 N3 O10 Ti
• Title of publication: The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(benzo[d][1,3]dioxol-5-ol ato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV)-dichloromethane(1/1), C27H25N3O10Ti
• Authors of publication: Li, Shanjia; Wang, Peng; Ji, Mingyu; Yang, Mingjun; Pu, Xiuying; Zhao, Tiankun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1165 - 1167
• a: 11.3366 ± 0.0011 Å
• b: 11.0253 ± 0.0011 Å
• c: 23.716 ± 0.002 Å
• α: 90°
• β: 100.839 ± 0.002°
• γ: 90°
• Cell volume: 2911.4 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No