Information card for entry 7104535

Structure parameters

• Common name: DIPPnacnacZnH
• Formula: C29 H42 N2 Zn
• Calculated formula: C29 H42 N2 Zn
• SMILES: [ZnH]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Convenient synthesis and crystal structure of a monomeric zinc hydride complex with a three-coordinate metal center.
• Authors of publication: Spielmann, Jan; Piesik, Dirk; Wittkamp, Bernd; Jansen, Georg; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3455 - 3456
• a: 12.639 ± 0.003 Å
• b: 15.856 ± 0.003 Å
• c: 14.02 ± 0.003 Å
• α: 90°
• β: 105.528 ± 0.01°
• γ: 90°
• Cell volume: 2707.1 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No