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Information card for entry 7106795
Preview
Coordinates | 7106795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C81 H132 Ce2 N4 O7 |
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Calculated formula | C81 H132 Ce2 N4 O7 |
SMILES | [Ce]1234([O](C(C)(C)C)[Ce]567([N](=Cc8c(O7)c(cc(c8)C(C)(C)C)C(C)(C)C)CC[N]6=Cc6c(O5)c(cc(c6)C(C)(C)C)C(C)(C)C)[O]2C(C)(C)C)[N](=Cc2c(O4)c(cc(c2)C(C)(C)C)C(C)(C)C)CC[N]1=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C.CCCCC.O(CC)CC |
Title of publication | Redox control of a polymerization catalyst by changing the oxidation state of the metal center |
Authors of publication | Erin M. Broderick; Neng Guo; Tianpin Wu; Carola S. Vogel; Cuiling Xu; Jorg Sutter; Jeffrey T. Miller; Karsten Meyer; Thibault Cantat; Paula L. Diaconescu |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 9897 |
a | 14.471 ± 0.003 Å |
b | 16.704 ± 0.003 Å |
c | 17.748 ± 0.004 Å |
α | 90° |
β | 102.508 ± 0.002° |
γ | 90° |
Cell volume | 4188.3 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.055 |
Weighted residual factors for all reflections included in the refinement | 0.0569 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
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/7106795.html
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Users of the data should acknowledge the original authors of the
structural data.