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Information card for entry 4323551
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Coordinates | 4323551.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tris(tetraethylammonium) dodecakis-μ-chloro-hexachloro-pentahydrido- hexa-zirconium 2.43-acetonitrile solvate |
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Formula | C28.87 H70.92 Cl18 N5.43 Zr6 |
Calculated formula | C14.22 H23 Cl9 N2.61 Zr3 |
Title of publication | Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms |
Authors of publication | Linfeng Chen; F. Albert Cotton; William A. Wojtczak |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4047 - 4054 |
a | 21.156 ± 0.001 Å |
b | 24.584 ± 0.003 Å |
c | 11.713 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6091.9 ± 1.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1038 |
Residual factor for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections | 0.1782 |
Weighted residual factors for significantly intense reflections | 0.1676 |
Goodness-of-fit parameter for all reflections | 1.26 |
Goodness-of-fit parameter for significantly intense reflections | 1.298 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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