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Information card for entry 4002171
Preview
| Coordinates | 4002171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H36 B2 Mg O16 |
|---|---|
| Calculated formula | C14 H36 B2 Mg O16 |
| SMILES | [B]1(O)(OCc2c1cccc2)O.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.[B]1(O)(OCc2c1cccc2)O.O.O |
| Title of publication | Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs |
| Authors of publication | Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 1242 |
| a | 8.2365 ± 0.0003 Å |
| b | 12.1468 ± 0.0005 Å |
| c | 24.7923 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2480.4 ± 0.18 Å3 |
| Cell temperature | 175 K |
| Ambient diffraction temperature | 175 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for all reflections | 0.0874 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002171.cif |
| 132774 | 2015-03-04 | cif/ Updating files of 4002171, 4002172, 4002173 Original log message: Adding full bibliography for 4002171--4002173.cif. |
4002171.cif |
| 131198 | 2015-02-06 | cif/ Adding structures of 4002171, 4002172, 4002173 via cif-deposit CGI script. |
4002171.cif |
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