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Information card for entry 7041899
Preview
Coordinates | 7041899.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H57 B F15 N O2 Si2 Zr |
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Calculated formula | C69 H57 B F15 N O2 Si2 Zr |
SMILES | [Zr]1234567([n]8c(c9c(O1)c([Si](C)(C)C(C)(C)C)cc1ccccc91)cccc8c1c(O2)c([Si](C)(C)C(C)(C)C)cc2ccccc12)(Cc1ccccc1)[cH]1[cH]4[cH]5[cH]6[cH]7[c]31C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, "oscillation" and olefin polymerization catalysis. |
Authors of publication | Annunziata, Liana; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François; Kirillov, Evgueni |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 10 |
Pages of publication | 3150 - 3159 |
a | 16.3881 ± 0.0004 Å |
b | 28.2501 ± 0.0007 Å |
c | 18.8581 ± 0.0005 Å |
α | 90° |
β | 115.671 ± 0.001° |
γ | 90° |
Cell volume | 7868.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0716 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1421 |
Weighted residual factors for all reflections included in the refinement | 0.1553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7041899.html
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