Information card for entry 4073625

Structure parameters

• Common name: [Zn(Et)(DBP)(H-TMG)] (4)
• Formula: C21 H39 N3 O Zn
• Calculated formula: C21 H39 N3 O Zn
• SMILES: [Zn]([NH]=C(N(C)C)N(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)CC
• Title of publication: Synthesis, Structure, and Reactivity of Alkylzinc Complexes Stabilized with 1,1,3,3-Tetramethylguanidine
• Authors of publication: Bunge, Scott D.; Lance, Jacob M.; Bertke, Jeffrey A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6320
• a: 11.186 ± 0.002 Å
• b: 13.866 ± 0.003 Å
• c: 15.376 ± 0.003 Å
• α: 90°
• β: 99.819 ± 0.004°
• γ: 90°
• Cell volume: 2350 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1881
• 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: No
• Has Fobs: No