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Information card for entry 1551850
Preview
| Coordinates | 1551850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 B11 Cl11 O |
|---|---|
| Calculated formula | C11 H12 B11 Cl11 O |
| 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.[O+]#Cc1c(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 | 9.2943 ± 0.0013 Å |
| b | 10.468 ± 0.0014 Å |
| c | 14.361 ± 0.002 Å |
| α | 94.572 ± 0.0016° |
| β | 95.238 ± 0.0018° |
| γ | 103.789 ± 0.0015° |
| Cell volume | 1343.8 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 significantly intense reflections | 0.0289 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216471 (current) | 2019-06-21 | cif/ Adding structures of 1551850 via cif-deposit CGI script. |
1551850.cif |
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