Information card for entry 4344729

Structure parameters

• Formula: C33 H54 N6 Ti
• Calculated formula: C33 H54 N6 Ti
• SMILES: [Ti](N=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.
• Authors of publication: Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1142 - 1153
• a: 8.9497 ± 0.0004 Å
• b: 11.1431 ± 0.0006 Å
• c: 19.1705 ± 0.0009 Å
• α: 89.6 ± 0.004°
• β: 85.093 ± 0.004°
• γ: 67.378 ± 0.005°
• Cell volume: 1757.57 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No