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Information card for entry 4322245
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Coordinates | 4322245.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cesium chloro-tris(trifluoromethyl)borate |
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Formula | C3 B Cl Cs F9 |
Calculated formula | C3 B Cl Cs F9 |
SMILES | [B](C(F)(F)F)(Cl)(C(F)(F)F)C(F)(F)F.[Cs+] |
Title of publication | Halogenation of (CF3)3B.NH3: N,N-Dihaloamino- and Halo-tris(trifluoromethyl)borates [(CF3)3B-NX2]- and [(CF3)3B-X]-, X = F, Cl, Br |
Authors of publication | David J. Brauer; Hans Bürger; Yonas Chebude; Gottfried Pawelke |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 3972 - 3977 |
a | 9.8059 ± 0.0009 Å |
b | 9.8059 ± 0.0009 Å |
c | 9.8059 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 942.89 ± 0.15 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 198 |
Hermann-Mauguin space group symbol | P 21 3 |
Hall space group symbol | P 2ac 2ab 3 |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0237 |
Weighted residual factors for all reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Goodness-of-fit parameter for all reflections | 1.082 |
Goodness-of-fit parameter for significantly intense reflections | 1.099 |
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/4322245.html
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