Information card for entry 7050384

Structure parameters

• Common name: [CL3Ti{(CyN)2CC6H4C(NCySiMe3)(NHCy)}]{Ti2Cl9]
• Formula: C35 H58 Cl12 N4 Si Ti3
• Calculated formula: C35 H58 Cl12 N4 Si Ti3
• Title of publication: Ambiphilic ligands from the 1,4-benzenebis(amidine) framework
• Authors of publication: Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 1195 - 1197
• a: 20.7206 ± 0.0006 Å
• b: 20.5047 ± 0.0005 Å
• c: 11.9981 ± 0.0003 Å
• α: 90°
• β: 93.101 ± 0.001°
• γ: 90°
• Cell volume: 5090.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No