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Information card for entry 4081333
Preview
Coordinates | 4081333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H72 Hf N2 O2 |
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Calculated formula | C57 H72 Hf N2 O2 |
SMILES | [Hf]123(Oc4c(C[N]2(Cc2[n]3cccc2)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1.c1c(cccc1)C |
Title of publication | Comparison of Selected Zirconium and Hafnium Amine Bis(phenolate) Catalysts for 1-Hexene Polymerization |
Authors of publication | Steelman, D. Keith; Pletcher, Paul D.; Switzer, Jeffrey M.; Xiong, Silei; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4862 |
a | 16.2121 ± 0.0003 Å |
b | 14.9124 ± 0.0003 Å |
c | 20.7494 ± 0.0004 Å |
α | 90° |
β | 92.592 ± 0.001° |
γ | 90° |
Cell volume | 5011.27 ± 0.17 Å3 |
Cell temperature | 150 ± 0.02 K |
Ambient diffraction temperature | 150 ± 0.02 K |
Number of distinct elements | 5 |
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 | 0.069 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MO-Kα |
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/4081333.html
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Users of the data should acknowledge the original authors of the
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