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Information card for entry 4323387
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Coordinates | 4323387.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Fluoro)[η^3^-hydrotris(3-tolyl-5-methylpyrazol-1-yl)borate]zinc(II) |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4323387.html
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