Information card for entry 7003278

Structure parameters

• Formula: C77 H80 Li2 O10 Zn
• Calculated formula: C77 H80 Li2 O10 Zn
• Title of publication: TADDOLate complexes of zinc
• Authors of publication: Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1761 - 1764
• a: 11.6597 ± 0.0006 Å
• b: 15.5812 ± 0.0007 Å
• c: 19.3475 ± 0.0009 Å
• α: 90°
• β: 105.443 ± 0.004°
• γ: 90°
• Cell volume: 3388 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No