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Information card for entry 4107006
Preview
Coordinates | 4107006.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H52 B3 N6 P |
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Calculated formula | C18 H52 B3 N6 P |
SMILES | [BH3][NH2][BH2][NH2][BH3].P123N(CC[N+]3(CCN1CC(C)C)CCN2CC(C)C)CC(C)C |
Title of publication | Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism |
Authors of publication | William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 17093 - 17099 |
a | 9.052 ± 0.002 Å |
b | 9.299 ± 0.002 Å |
c | 17.014 ± 0.004 Å |
α | 102.904 ± 0.01° |
β | 90.446 ± 0.011° |
γ | 108.182 ± 0.009° |
Cell volume | 1321.6 ± 0.5 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 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 | 0.0348 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
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/4107006.html
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