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Information card for entry 4311167
Preview
| Coordinates | 4311167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Formula | B12 H14 O12 |
|---|---|
| Calculated formula | B12 H14 O12 |
| SMILES | [B]1234([B]567(O)[B]89%10([B]%11%12%13([B]%14%15%16([B]%171([B]1%183([B]258([B]%10%13%18([B]%12%15%171O)O)O)O)([B]47%16([B]69%11%14O)O)O)O)[OH2])O)[OH2] |
| Title of publication | An Addition to the Oxoacid Family: H2B12(OH)12 |
| Authors of publication | Stasko, Daniel J.; Perzynski, Kevin J.; Wasil, Mark A.; Brodbeck, Julia K.; Kirschbaum, Kristin; Kim, Yong Wah; Lind, Cora |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Journal issue | 13 |
| Pages of publication | 3786 - 3788 |
| a | 8.237 ± 0.0005 Å |
| b | 8.293 ± 0.0005 Å |
| c | 8.3553 ± 0.0004 Å |
| α | 90° |
| β | 90.143 ± 0.002° |
| γ | 90° |
| Cell volume | 570.74 ± 0.06 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.4959 Å |
| Diffraction radiation type | synchroton |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210353 (current) | 2018-09-02 | cif/ Updating bibliography in entries 4311167, 9015416. Marking entry 9015416 as a duplicate of entry 4311167. |
4311167.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311167.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311167.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311167.cif |
| 2659 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311167 via cif-deposit CGI script. |
4311167.cif |
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