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Information card for entry 4086664
Preview
Coordinates | 4086664.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H84 B2 N10 O2 Th |
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Calculated formula | C75 H84 B2 N10 O2 Th |
SMILES | [Th]1234(OC(c5ccccc5)(C5N1C(=CC=C5)c1[n]2cccc1)c1ccccc1)(=C1N(c2c(C)cc(cc2C)C)C=CN1[BH2]N1C=CN(c2c(cc(cc2C)C)C)C=41)=C1N(C=CN1c1c(cc(cc1C)C)C)[BH2]N1C=3N(c2c(cc(cc2C)C)C)C=C1.O(CC)CC |
Title of publication | A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes |
Authors of publication | Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 17 |
Pages of publication | 2915 |
a | 12.199 ± 0.0005 Å |
b | 13.0652 ± 0.0005 Å |
c | 23.3043 ± 0.0009 Å |
α | 83.817 ± 0.001° |
β | 87.104 ± 0.001° |
γ | 63.379 ± 0.001° |
Cell volume | 3301.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0711 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086664.html
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Users of the data should acknowledge the original authors of the
structural data.