Information card for entry 4344723

Structure parameters

• Formula: C24 H52 N8 Ti
• Calculated formula: C24 H52 N8 Ti
• SMILES: [Ti]1(N=C2N(C=CN2C(C)(C)C)C(C)(C)C)(N(C)C)(N(C)C)[N](C(C)C)=C(N1C(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: 11.3225 ± 0.0005 Å
• b: 14.4568 ± 0.0007 Å
• c: 18.1231 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2966.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No