Information card for entry 4075900

Structure parameters

• Formula: C66 H106 O7 S2 Ti2
• Calculated formula: C66 H106 O7 S2 Ti2
• Title of publication: Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity
• Authors of publication: Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3987
• a: 7.011 ± 0.003 Å
• b: 13.791 ± 0.006 Å
• c: 17.957 ± 0.005 Å
• α: 79.1 ± 0.03°
• β: 81.8 ± 0.03°
• γ: 78.79 ± 0.03°
• Cell volume: 1662.3 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No