Information card for entry 4072115

Structure parameters

• Common name: 1,3-(DIPP-nacnac-ZnEt)2-pyridine
• Formula: C43 H61 N5 Zn2
• Calculated formula: C43 H61 N5 Zn2
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1nc([N]2=C(C)C=C(N([Zn]2CC)c2c(cccc2C(C)C)C(C)C)C)ccc1)CC
• Title of publication: Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization
• Authors of publication: Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6178
• a: 11.6831 ± 0.0004 Å
• b: 14.2544 ± 0.0005 Å
• c: 14.5619 ± 0.0005 Å
• α: 67.162 ± 0.002°
• β: 79.572 ± 0.002°
• γ: 70.257 ± 0.002°
• Cell volume: 2100.1 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No