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Information card for entry 4082012
Preview
Coordinates | 4082012.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H51 B10 N5 |
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Calculated formula | C19 H51 B10 N5 |
SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.n1(nn[n](c1C)[B]1234[BH]56[BH]781[BH]19%10[BH]%11%12%13[BH]35([BH]689%11)[BH]34%12[BH]271[BH]%10%133)C |
Title of publication | Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters |
Authors of publication | Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6576 |
a | 14.6915 ± 0.0006 Å |
b | 9.4791 ± 0.0007 Å |
c | 20.7104 ± 0.001 Å |
α | 90° |
β | 100.301 ± 0.004° |
γ | 90° |
Cell volume | 2837.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1254 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1221 |
Weighted residual factors for all reflections included in the refinement | 0.1458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4082012.html
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Users of the data should acknowledge the original authors of the
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