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Information card for entry 2019046
Preview
| Coordinates | 2019046.cif |
|---|---|
| Structure factors | 2019046.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triphenylsilanol‒4,4'-bipyridyl (4/1) |
|---|---|
| Formula | C82 H72 N2 O4 Si4 |
| Calculated formula | C82 H72 N2 O4 Si4 |
| SMILES | n1ccc(cc1)c1ccncc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited |
| Authors of publication | Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 774 - 777 |
| a | 20.787 ± 0.004 Å |
| b | 24.404 ± 0.005 Å |
| c | 29.456 ± 0.006 Å |
| α | 83.68 ± 0.03° |
| β | 89.65 ± 0.03° |
| γ | 67.11 ± 0.03° |
| Cell volume | 13671 ± 6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2045 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| 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. |
2019046.cif 2019046.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. |
2019046.cif 2019046.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. |
2019046.cif 2019046.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019046.cif 2019046.hkl |
| 87460 | 2013-08-27 | cif/ Adding structures of 2019046 via cif-deposit CGI script. |
2019046.cif |
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Users of the data should acknowledge the original authors of the
structural data.