Information card for entry 7047754

Structure parameters

• Formula: C49 H52 Cl4 O6 P Rh S2 Ti
• Calculated formula: C49 H52 Cl4 O6 P Rh S2 Ti
• Title of publication: Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.
• Authors of publication: Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 15391 - 15398
• a: 12.711 ± 0.004 Å
• b: 13.703 ± 0.004 Å
• c: 16.828 ± 0.005 Å
• α: 70.501 ± 0.005°
• β: 87.218 ± 0.005°
• γ: 67.906 ± 0.006°
• Cell volume: 2550.1 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1763
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No