Information card for entry 4322529

Structure parameters

• Formula: C32 H46 Cl4 N2 O3 Ti
• Calculated formula: C32 H46 Cl4 N2 O3 Ti
• Title of publication: Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures
• Authors of publication: Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5964 - 5977
• a: 15.26 ± 0.003 Å
• b: 16.724 ± 0.003 Å
• c: 27.774 ± 0.006 Å
• α: 90°
• β: 90.46 ± 0.03°
• γ: 90°
• Cell volume: 7088 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections: 0.1313
• Weighted residual factors for significantly intense reflections: 0.1083
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No