Information card for entry 7029629

Structure parameters

• Formula: C51 H70 Cl N3 O3 Ti
• Calculated formula: C51 H70 Cl N3 O3 Ti
• Title of publication: Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.
• Authors of publication: Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8261 - 8272
• a: 12.3919 ± 0.0013 Å
• b: 15.1779 ± 0.0016 Å
• c: 29.978 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5638.4 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No