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Information card for entry 1518879
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Coordinates | 1518879.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | compound Zr-2 |
---|---|
Formula | C40 H47 B Cl2 N2 Si Zr |
Calculated formula | C40 H47 B Cl2 N2 Si Zr |
SMILES | [Zr]123456(N(c7cccc([n]17)c1c(B(c7c(cc(cc7C)C)C)c7c(cc(cc7C)C)C)cccc1)[Si]([c]14[c]5([c]6([c]2([c]31C)C)C)C)(C)C)(Cl)Cl |
Title of publication | Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization |
Authors of publication | Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R. |
Journal of publication | Polym. Chem. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 17 |
Pages of publication | 3290 |
a | 9.9361 ± 0.0007 Å |
b | 12.4723 ± 0.0008 Å |
c | 15.9 ± 0.0011 Å |
α | 84.293 ± 0.003° |
β | 73.108 ± 0.003° |
γ | 83.935 ± 0.003° |
Cell volume | 1870 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0304 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0659 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/1518879.html
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Users of the data should acknowledge the original authors of the
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