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Information card for entry 7041900
Preview
Coordinates | 7041900.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H64 Cl2 N2 O2 Si2 Zr |
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Calculated formula | C53 H64 Cl2 N2 O2 Si2 Zr |
SMILES | [Zr]12(Cl)(Cl)([n]3c(c4c(O1)c([Si](C)(C)C(C)(C)C)cc1c4cccc1)cccc3c1c(O2)c([Si](C)(C)C(C)(C)C)cc2c1cccc2)[NH](C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
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 | 18.8689 ± 0.001 Å |
b | 20.4867 ± 0.0011 Å |
c | 22.9343 ± 0.0013 Å |
α | 69.667 ± 0.002° |
β | 75.579 ± 0.002° |
γ | 70.528 ± 0.002° |
Cell volume | 7748.1 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1031 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7041900.cif |
195047 | 2017-04-05 | cif/ Updating files of 7041899, 7041900 Original log message: Adding full bibliography for 7041899--7041900.cif. |
7041900.cif |
191161 | 2017-01-31 | cif/ Adding structures of 7041899, 7041900 via cif-deposit CGI script. |
7041900.cif |
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structural data.