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Information card for entry 4105114
Preview
Coordinates | 4105114.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H65 B Hf N2 |
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Calculated formula | C50 H65 B Hf N2 |
SMILES | [Hf]1234(B5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst |
Authors of publication | Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14162 - 14163 |
a | 18.7 ± 0.003 Å |
b | 12.582 ± 0.002 Å |
c | 19.211 ± 0.004 Å |
α | 90° |
β | 104.734 ± 0.0005° |
γ | 90° |
Cell volume | 4371.4 ± 1.3 Å3 |
Cell temperature | 121.15 K |
Ambient diffraction temperature | 121 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.7107 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/4105114.html
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Users of the data should acknowledge the original authors of the
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