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Information card for entry 4084183
Preview
Coordinates | 4084183.cif |
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Original paper (by DOI) | HTML |
Formula | C73 H69 Cl2 O2 Ta |
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Calculated formula | C73 H69 Cl2 O2 Ta |
SMILES | [Ta](Cl)(Cl)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)C |
Title of publication | A Tantalum Methylidene Complex Supported by a Robust and Sterically Encumbering Aryloxide Ligand |
Authors of publication | Searles, Keith; Pinter, Balazs; Chen, Chun-Hsing; Mindiola, Daniel J. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4192 |
a | 13.675 ± 0.0006 Å |
b | 14.8898 ± 0.0007 Å |
c | 15.4591 ± 0.0007 Å |
α | 86.195 ± 0.002° |
β | 72.982 ± 0.002° |
γ | 81.442 ± 0.002° |
Cell volume | 2975.5 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0258 |
Residual factor for significantly intense reflections | 0.0214 |
Weighted residual factors for all reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.0471 |
Weighted residual factors for all reflections included in the refinement | 0.0483 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9949 |
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/4084183.html
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Users of the data should acknowledge the original authors of the
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