Information card for entry 4323387

Structure parameters

• Chemical name: (Fluoro)[η^3^-hydrotris(3-tolyl-5-methylpyrazol-1-yl)borate]zinc(II)
• Formula: C33 H34 B F N6 Zn
• Calculated formula: C33 H34 B F N6 Zn
• SMILES: [BH]12n3c(cc(c4ccc(cc4)C)[n]3[Zn](F)([n]3c(cc(C)n13)c1ccc(cc1)C)[n]1c(cc(C)n21)c1ccc(cc1)C)C
• Title of publication: Fluoro[η3-hydrotris(3-R-5-methylpyrazol-1-yl)borato]zinc(II): The First TpZnF Complexes, Convenient Precursors to Zinc Hydride Complexes,
• Authors of publication: Wolfgang Kläui; Uwe Schilde; Michael Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1598 - 1601
• a: 11.8719 ± 0.0012 Å
• b: 11.8719 ± 0.0012 Å
• c: 37.051 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4522.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.0962
• Goodness-of-fit parameter for significantly intense reflections: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No