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Information card for entry 2238160
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| Coordinates | 2238160.cif |
|---|---|
| Structure factors | 2238160.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate |
|---|---|
| Formula | C24.5 H18 N2 O0.5 |
| Calculated formula | C24.5 H18 N2 O0.5 |
| SMILES | c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.OC |
| Title of publication | 4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate |
| Authors of publication | Martins, João P.; Martín-Ramos, Pablo; Sobral, Abílio J. F. N.; Ramos Silva, Manuela |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1018 |
| a | 7.2094 ± 0.0003 Å |
| b | 14.8067 ± 0.0006 Å |
| c | 18.1459 ± 0.0007 Å |
| α | 109.797 ± 0.002° |
| β | 99.921 ± 0.003° |
| γ | 92.056 ± 0.003° |
| Cell volume | 1785.99 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1221 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238160.cif 2238160.hkl |
| 181303 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81. |
2238160.cif 2238160.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238160.cif 2238160.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. |
2238160.cif 2238160.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238160.cif 2238160.hkl |
| 87407 | 2013-08-27 | cif/ Adding structures of 2238160 via cif-deposit CGI script. |
2238160.cif |
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Users of the data should acknowledge the original authors of the
structural data.