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Information card for entry 4088394
Preview
Coordinates | 4088394.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H49 B9 N3 Ta |
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Calculated formula | C25 H49 B9 N3 Ta |
SMILES | [Ta]12345([N](CC[C]6781[CH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)(C)C)(=NC1CCCCC1)N(c1c(cccc1C)C)C(=C(C)C)C |
Title of publication | Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation |
Authors of publication | Xiang, Li; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 10 |
Pages of publication | 1430 |
a | 10.5396 ± 0.0013 Å |
b | 15.734 ± 0.0019 Å |
c | 19.471 ± 0.003 Å |
α | 90° |
β | 103.667 ± 0.002° |
γ | 90° |
Cell volume | 3137.5 ± 0.7 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1545 |
Weighted residual factors for all reflections included in the refinement | 0.1614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4088394.html
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Users of the data should acknowledge the original authors of the
structural data.