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Information card for entry 4300111
Preview
Coordinates | 4300111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Be Cl18 H53 O24 Zr6 |
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Calculated formula | Be Cl18 O24 Zr6 |
SMILES | O.[Be]1234[Zr]567([Cl][Zr]289(Cl)[Cl][Zr]2%101([Cl][Zr]3([Cl]6)([Cl][Zr]4([Cl]8)(Cl)([Cl]2)[Cl]5)([Cl][Zr]([Cl]9)([Cl]7)(Cl)[Cl]%10)Cl)Cl)Cl.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Reduced Zirconium Halide Clusters in Aqueous Solution |
Authors of publication | Xiaobing Xie; Timothy Hughbanks |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 555 - 561 |
a | 13.8956 ± 0.0004 Å |
b | 13.8956 ± 0.0004 Å |
c | 13.8956 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2683.07 ± 0.13 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for all reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.0687 |
Goodness-of-fit parameter for all reflections | 1.078 |
Goodness-of-fit parameter for significantly intense reflections | 1.185 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4300111.html
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Users of the data should acknowledge the original authors of the
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