Information card for entry 4304862

Structure parameters

• Formula: C127 H190 N6 O19 S2 Ti3
• Calculated formula: C127 H190 N6 O19 S2 Ti3
• Title of publication: In Situ Formation of Heterobimetallic Salen Complexes Containing Titanium and/or Vanadium Ions
• Authors of publication: Yuri N. Belokon'; William Clegg; Ross W. Harrington; Michael North; Carl Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3801 - 3814
• a: 27.38 ± 0.002 Å
• b: 27.38 ± 0.002 Å
• c: 38.033 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24692 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No