Information card for entry 2017739

Structure parameters

• Chemical name: Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)
• Formula: C26 H45 B N6 Zn
• Calculated formula: C26 H45 B N6 Zn
• SMILES: [BH]12n3c(C)cc(C(C)(C)C)[n]3[Zn](CC)([n]3c(cc(C)n13)C(C)(C)C)[n]1c(cc(C)n21)C(C)(C)C
• Title of publication: Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)
• Authors of publication: Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m197 - m200
• a: 30.83 ± 0.004 Å
• b: 9.8047 ± 0.0012 Å
• c: 19.17 ± 0.002 Å
• α: 90°
• β: 107.211 ± 0.0018°
• γ: 90°
• Cell volume: 5535.2 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes