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Information card for entry 4336679
Preview
| Coordinates | 4336679.cif |
|---|---|
| Structure factors | 4336679.hkl |
| Original paper (by DOI) | HTML |
| Formula | C27 H31 B11 Cl11 Li N3 O2 P |
|---|---|
| Calculated formula | C27 H31 B11 Cl11 Li N3 O2 P |
| SMILES | Cl[B]1234[C]567([N]8=N[N](=P(c9ccccc9)(c9ccccc9)c9ccccc9)[Li]8([O]8CCCC8)[O]8CCCC8)[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 |
| Title of publication | Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide |
| Authors of publication | Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 12308 - 12310 |
| a | 12.7459 ± 0.0003 Å |
| b | 16.8796 ± 0.0004 Å |
| c | 19.9589 ± 0.0005 Å |
| α | 90° |
| β | 98.934 ± 0.002° |
| γ | 90° |
| Cell volume | 4241.98 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| 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 | 0.1089 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4336679.cif 4336679.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4336679.cif 4336679.hkl |
| 179469 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66. |
4336679.cif 4336679.hkl |
| 102686 | 2014-02-21 | cif/ hkl/ Adding structures of 4336679 via cif-deposit CGI script. |
4336679.cif 4336679.hkl |
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Users of the data should acknowledge the original authors of the
structural data.