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Information card for entry 1551848
Preview
| Coordinates | 1551848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 B12 Cl11 |
|---|---|
| Calculated formula | C19 H23 B12 Cl11 |
| SMILES | Cl[B]1234[CH]567[B]891(Cl)[B]1%105(Cl)[B]5%116(Cl)[B]627(Cl)[B]27%11(Cl)[B]%11%105(Cl)[B]591(Cl)[B]138(Cl)[B]462(Cl)[B]7%1151Cl.c1(c(cc(cc1C)C)C)[B+]c1c(cc(cc1C)C)C |
| Title of publication | A two-coordinate boron cation featuring C-B±C bonding |
| Authors of publication | Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima |
| Journal of publication | Nature Chemistry |
| Year of publication | 2014 |
| Journal volume | 6 |
| Pages of publication | 498 - 503 |
| a | 16.1901 ± 0.0018 Å |
| b | 10.01 ± 0.0011 Å |
| c | 21.24 ± 0.003 Å |
| α | 90° |
| β | 101.822 ± 0.001° |
| γ | 90° |
| Cell volume | 3369.2 ± 0.7 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 significantly intense reflections | 0.0249 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216469 (current) | 2019-06-21 | cif/ Adding structures of 1551848 via cif-deposit CGI script. |
1551848.cif |
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