Information card for entry 4000904

Structure parameters

• Formula: C10 H16 N2 Zn
• Calculated formula: C10 H16 N2 Zn
• SMILES: [Zn]1(n2cccc2C=[N]1C(C)C)CC
• Title of publication: Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition
• Authors of publication: Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 4854
• a: 12.9816 ± 0.0014 Å
• b: 8.3146 ± 0.0009 Å
• c: 10.8375 ± 0.0011 Å
• α: 90°
• β: 108.644 ± 0.002°
• γ: 90°
• Cell volume: 1108.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0846
• 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