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Information card for entry 2019010
Preview
| Coordinates | 2019010.cif |
|---|---|
| Structure factors | 2019010.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-di-<i>tert</i>-butyl(hydroxy)silanolato]bis[chloridoindium(III)] |
|---|---|
| Formula | C16 H38 Cl4 In2 O4 Si2 |
| Calculated formula | C16 H38 Cl4 In2 O4 Si2 |
| SMILES | C(C)(C)(C)[Si]1(C(C)(C)C)[OH][In]2([O]1[In]1([OH][Si](C(C)(C)C)(C(C)(C)C)[O]21)(Cl)Cl)(Cl)Cl |
| Title of publication | An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~] |
| Authors of publication | Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 569 - 572 |
| a | 8.3467 ± 0.001 Å |
| b | 10.453 ± 0.001 Å |
| c | 16.7393 ± 0.0018 Å |
| α | 90° |
| β | 96.689 ± 0.009° |
| γ | 90° |
| Cell volume | 1450.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0749 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (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 2/01/90. |
2019010.cif 2019010.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019010.cif 2019010.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2019010.cif 2019010.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019010.cif 2019010.hkl |
| 86796 | 2013-07-11 | cif/ Adding structures of 2019010, 2019011 via cif-deposit CGI script. |
2019010.cif |
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Users of the data should acknowledge the original authors of the
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