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Information card for entry 4323593
Preview
Coordinates | 4323593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H21 Cl3 O3 Zr |
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Calculated formula | C12 H21 Cl3 O3 Zr |
SMILES | [Zr]12345(Cl)(Cl)(Cl)([OH2])[O](C)CC[c]61[cH]2[cH]3[cH]4[cH]56.O1CCCC1 |
Title of publication | Aqua Complexes of [(2-Methoxyethyl)cyclopentadienyl]zirconium Trichloride |
Authors of publication | Adolphus A. H. van der Zeijden; Chris Mattheis; Roland Fröhlich; Frank Zippel |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4444 - 4450 |
a | 11.612 ± 0.001 Å |
b | 10.759 ± 0.002 Å |
c | 14.291 ± 0.002 Å |
α | 90° |
β | 105.5 ± 0.01° |
γ | 90° |
Cell volume | 1720.5 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections | 0.1756 |
Weighted residual factors for significantly intense reflections | 0.1576 |
Goodness-of-fit parameter for all reflections | 1.042 |
Goodness-of-fit parameter for significantly intense reflections | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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