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Information card for entry 4086666
Preview
Coordinates | 4086666.cif |
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Original paper (by DOI) | HTML |
Formula | C65 H71 B2 N11 Th |
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Calculated formula | C65 H71 B2 N11 Th |
SMILES | [Th]123(=Nc4ccc(cc4)C)([n]4c(cccc4)c4[n]1cccc4)(=C1N(C=CN1[BH2]N1C=2N(C=C1)c1c(cc(C)cc1C)C)c1c(C)cc(cc1C)C)=C1N(c2c(C)cc(cc2C)C)C=CN1[BH2]N1C=3N(c2c(cc(C)cc2C)C)C=C1 |
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 | 13.38 ± 0.003 Å |
b | 20.417 ± 0.005 Å |
c | 24.323 ± 0.006 Å |
α | 82.638 ± 0.005° |
β | 77.738 ± 0.006° |
γ | 70.971 ± 0.004° |
Cell volume | 6126 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0983 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1846 |
Weighted residual factors for all reflections included in the refinement | 0.1962 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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