Information card for entry 7047134

Structure parameters

• Formula: C107 H75 Cl9 N4 O8 Ti2
• Calculated formula: C107 H75 Cl9 N4 O8 Ti2
• Title of publication: From monomeric complexes to double-stranded helicates constructed around trans-TiO₄N₂ motifs with intramolecular inter-ligand hydrogen-bonding interactions.
• Authors of publication: Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 11113 - 11122
• a: 13.168 ± 0.001 Å
• b: 19.081 ± 0.002 Å
• c: 21.467 ± 0.002 Å
• α: 66.712 ± 0.003°
• β: 75.515 ± 0.003°
• γ: 82.992 ± 0.003°
• Cell volume: 4795.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1466
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No