Information card for entry 4071268

Structure parameters

• Common name: {BrZn[CH2C(O)NEt2](dmso)}2, (1b)
• Formula: C16 H36 Br2 N2 O4 S2 Zn2
• Calculated formula: C16 H36 Br2 N2 O4 S2 Zn2
• SMILES: C1[Zn@]([O]=C(N(CC)CC)C[Zn@@]([O]=C1N(CC)CC)([O]=S(C)C)Br)([O]=S(C)C)Br
• Title of publication: Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones
• Authors of publication: Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1948
• a: 8.0442 ± 0.0004 Å
• b: 9.6895 ± 0.0005 Å
• c: 9.9379 ± 0.0005 Å
• α: 103.446 ± 0.001°
• β: 99.177 ± 0.001°
• γ: 106.337 ± 0.001°
• Cell volume: 701.65 ± 0.06 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No