Information card for entry 7035122

Structure parameters

• Formula: C32 H42 Cl2 N4 Ti2
• Calculated formula: C32 H42 Cl2 N4 Ti2
• SMILES: c1[n]2[Ti]34567([c]8([c]4([c]3([c]6([c]58C)C)C)C)C)(Cl)N(c2ccc1C)[Ti]12345([c]6([c]5([c]3([c]2([c]16C)C)C)C)C)(N7c1ccc(c[n]41)C)Cl
• Title of publication: Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.
• Authors of publication: Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11119 - 11128
• a: 9.57 ± 0.002 Å
• b: 16.1114 ± 0.0013 Å
• c: 10.626 ± 0.003 Å
• α: 90°
• β: 111.075 ± 0.017°
• γ: 90°
• Cell volume: 1528.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1532
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No