Information card for entry 7028652

Structure parameters

• Formula: C39 H48 N3 O6 Yb
• Calculated formula: C39 H48 N3 O6 Yb
• SMILES: c12c(cccc1C1=[N]([C@H](CO1)C(C)C)[Yb]13([N]4=C(c5c(c(ccc5)C)O1)OC[C@@H]4C(C)C)([N]1=C(c4c(c(ccc4)C)O3)OC[C@@H]1C(C)C)O2)C
• 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: 10.493 ± 0.011 Å
• b: 18.64 ± 0.02 Å
• c: 18.64 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3646 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No