Information card for entry 7002620

Structure parameters

• Common name: (BDI)ZnCl
• Formula: C35 H53 Cl N2 Zn
• Calculated formula: C35 H53 Cl N2 Zn
• SMILES: C1(=CC(=[N]([Zn](N1c1c(cccc1C(C)C)C(C)C)Cl)c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C
• 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: 16.8648 ± 0.0001 Å
• b: 9.2141 ± 0.0001 Å
• c: 22.8397 ± 0.0002 Å
• α: 90°
• β: 106.18 ± 0.001°
• γ: 90°
• Cell volume: 3408.57 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No