Information card for entry 7047132

Structure parameters

• Formula: C119 H92 N8 O8 Ti2
• Calculated formula: C119 H92 N8 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: 50.172 ± 0.004 Å
• b: 10.9727 ± 0.0008 Å
• c: 37.185 ± 0.003 Å
• α: 90°
• β: 117.267 ± 0.002°
• γ: 90°
• Cell volume: 18196 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No