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Information card for entry 7063174
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Coordinates | 7063174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H51 B12 N O2 |
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Calculated formula | C23 H51 B12 N O2 |
Title of publication | Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis |
Authors of publication | Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
a | 17.052 ± 0.006 Å |
b | 11.397 ± 0.002 Å |
c | 16.762 ± 0.004 Å |
α | 90° |
β | 107.565 ± 0.014° |
γ | 90° |
Cell volume | 3105.7 ± 1.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0637 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
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/7063174.html
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