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Information card for entry 2018260
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| Coordinates | 2018260.cif |
|---|---|
| Structure factors | 2018260.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Butylpyridinium undecachlorocarbadodecaborate |
|---|---|
| Formula | C10 H15 B11 Cl11 N |
| Calculated formula | C10 H15 B11 Cl11 N |
| SMILES | CCCC[n+]1ccccc1.Cl[B]1234[CH]567[B]89%10([B]%1115([B]15%10([B]%10%129([B]978([B]726([B]264([B]3%111([B]5%126([B]%10972Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| Title of publication | <i>N</i>-Butylpyridinium undecachlorocarbadodecaborate and comparison with similar compounds |
| Authors of publication | Suarez, Sebastian A.; Foi, Ana; Eady, Shawn; Larsen, Anna; Doctorovich, Fabio |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o417 - o420 |
| a | 32.929 ± 0.003 Å |
| b | 10.2492 ± 0.0006 Å |
| c | 17.634 ± 0.0019 Å |
| α | 90° |
| β | 111.1 ± 0.012° |
| γ | 90° |
| Cell volume | 5552.4 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1042 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.2328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018260.cif 2018260.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018260.cif 2018260.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018260.cif 2018260.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018260.cif 2018260.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2018260.cif 2018260.hkl |
| 29343 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018260 via cif-deposit CGI script. |
2018260.cif |
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