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Information card for entry 7109799
Preview
Coordinates | 7109799.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H29 B9 N Ta |
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Calculated formula | C9 H29 B9 N Ta |
SMILES | [Ta]12345([N](CC[C]6784[BH]493[BH]3%102[BH]2%111[BH]1%12%13[BH]%146([BH]679[BH]74%10[BH]321[BH]%12%1467)[CH]58%11%13)(C)C)(C)(C)C |
Title of publication | Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds |
Authors of publication | Li Xiang; Kazushi Mashima; Zuowei Xie |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 9039 |
a | 12.998 ± 0.001 Å |
b | 17.4118 ± 0.0013 Å |
c | 18.0236 ± 0.0014 Å |
α | 90° |
β | 98.188 ± 0.002° |
γ | 90° |
Cell volume | 4037.5 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0613 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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