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Information card for entry 4063856
Preview
Coordinates | 4063856.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Cl2 Hf |
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Calculated formula | C32 H40 Cl2 Hf |
SMILES | [Hf]123456789(Cl)(Cl)[c]%10%11c(c(c(c([c]4%11[c]3([c]2([c]1%10CC[c]15[c]26[c]7(c(c(c(c2C)C)C)C)[c]8([c]91C)C)C)C)C)C)C)C |
Title of publication | Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium |
Authors of publication | Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 800 |
a | 18.5146 ± 0.0003 Å |
b | 8.017 ± 0.0001 Å |
c | 19.3519 ± 0.0003 Å |
α | 90° |
β | 107.451 ± 0.0006° |
γ | 90° |
Cell volume | 2740.22 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for all reflections | 0.0935 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0935 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9582 |
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/4063856.html
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Users of the data should acknowledge the original authors of the
structural data.