Information card for entry 4324078

Structure parameters

• Formula: C59 H71 Cl2 N3 O Ti
• Calculated formula: C59 H71 Cl2 N3 O Ti
• Title of publication: New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions
• Authors of publication: Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 30 - 36
• a: 11.2356 ± 0.0008 Å
• b: 12.859 ± 0.0009 Å
• c: 18.0523 ± 0.0013 Å
• α: 88.233 ± 0.001°
• β: 82.722 ± 0.001°
• γ: 82.574 ± 0.001°
• Cell volume: 2565.2 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No