Information card for entry 7028651

Structure parameters

• Formula: C77 H96 N6 O12 Y2
• Calculated formula: C77 H96 N6 O12 Y2
• Title of publication: Adding the right (or left) twist to tris-chelate complexes–coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).
• Authors of publication: Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1434 - 1442
• a: 17.106 ± 0.004 Å
• b: 12.42 ± 0.003 Å
• c: 17.628 ± 0.004 Å
• α: 90°
• β: 93.337 ± 0.005°
• γ: 90°
• Cell volume: 3738.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1487
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No