Information card for entry 7035123

Structure parameters

• Formula: C32 H43 Li N6 O Ti
• Calculated formula: C32 H43 Li N6 O Ti
• SMILES: [Ti]123456(N(c7ncccc7C)[Li]([n]7c(N1)c(ccc7)C)([n]1c(N2)c(ccc1)C)[O]1CCCC1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 11.414 ± 0.008 Å
• b: 15.79 ± 0.009 Å
• c: 18.041 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 106.06 ± 0.04°
• Cell volume: 3125 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/n
• Hall space group symbol: -P 2n
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No