Information card for entry 7002619

Structure parameters

• Common name: (BDI)ZnEt
• Formula: C37 H58 N2 Zn
• Calculated formula: C37 H58 N2 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Chemistry of BDI*M(2+) complexes (M = Mg, Zn) and their role in lactide polymerization where BDI* is the anion derived from methylenebis(C-tBu, N-2,6-diisopropylphenyl)imine BDI*H
• Authors of publication: Ayala, Carla N.; Chisholm, Malcolm H.; Gallucci, Judith C.; Krempner, Clemens
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9237
• a: 16.741 ± 0.0002 Å
• b: 17.8475 ± 0.0002 Å
• c: 24.4862 ± 0.0003 Å
• α: 90°
• β: 108.584 ± 0.001°
• γ: 90°
• Cell volume: 6934.63 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No