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Information card for entry 1506421
Preview
Coordinates | 1506421.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H38 Cl2 Zr |
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Calculated formula | C34 H38 Cl2 Zr |
SMILES | [Zr]12345678(Cl)(Cl)([cH]9[c]8%10[c]3([cH]2[c]19Cc1ccccc1)CCCCC%10)[cH]1[c]72[c]6([cH]5[c]41Cc1ccccc1)CCCCC2 |
Title of publication | Unbridged Zirconium and Titanium Metallocenes with Seven- or Eight-Saturated Fused-Ring Ligands: a Route for the Synthesis of Stereoblock Polypropene |
Authors of publication | Losio, Simona; Zecchi, Gaetano; Bertini, Fabio; Sacchi, Maria Carmela; Bertolasi, Valerio; Polo, Eleonora |
Journal of publication | Macromolecules |
Year of publication | 2005 |
Journal volume | 38 |
Journal issue | 17 |
Pages of publication | 7231 |
a | 18.901 ± 0.002 Å |
b | 6.512 ± 0.001 Å |
c | 23.87 ± 0.003 Å |
α | 90° |
β | 94.54 ± 0.004° |
γ | 90° |
Cell volume | 2928.8 ± 0.7 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
Diffraction radiation wavelength | 0.7107 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/1506421.html
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