Information card for entry 7049156

Structure parameters

• Formula: C90 H112 N O4 Ti
• Calculated formula: C89.9997 H111.999 N O3.9999 Ti
• Title of publication: First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications
• Authors of publication: Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 23.4039 ± 0.0002 Å
• b: 23.4039 ± 0.0002 Å
• c: 24.9083 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11815.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No