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Information card for entry 4300112
Preview
Coordinates | 4300112.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cl18 H53 Mn O24 Zr6 |
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Calculated formula | Cl18 Mn O24 Zr6 |
SMILES | O.[Cl]1[Zr]234(Cl)[Mn]5678[Zr]9%10%11([Cl][Zr]6%12([Cl]2)([Cl][Zr]7([Cl][Zr]15([Cl]%10)([Cl][Zr]8([Cl]%12)([Cl]3)(Cl)[Cl]%11)Cl)([Cl]9)([Cl]4)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 | 14.029 ± 0.003 Å |
b | 14.029 ± 0.003 Å |
c | 14.029 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2761.1 ± 1 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 | 0.0463 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for all reflections | 0.0825 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Goodness-of-fit parameter for all reflections | 1.195 |
Goodness-of-fit parameter for significantly intense reflections | 1.262 |
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/4300112.html
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