Information card for entry 8107265

Structure parameters

• Formula: C34 H76 N4 O16 Ti4
• Calculated formula: C34 H76 N4 O16 Ti4
• Title of publication: Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
• Authors of publication: Youzhu, Yu; Hui, Wang; Leilei, Li; Yuhua, Guo; Qianqian, Fu; Jingtao, Dai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 965 - 967
• a: 10.0452 ± 0.0006 Å
• b: 16.9053 ± 0.0008 Å
• c: 14.6374 ± 0.0008 Å
• α: 90°
• β: 108.029 ± 0.006°
• γ: 90°
• Cell volume: 2363.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No