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Information card for entry 2018782
Preview
| Coordinates | 2018782.cif |
|---|---|
| Structure factors | 2018782.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate |
|---|---|
| Formula | C31 H26 N11 O7.5 S3 Zn12 |
| Calculated formula | C31 H26 N11 O7.5 S3 Zn |
| Title of publication | Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K |
| Authors of publication | Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 119 - 122 |
| a | 10.4687 ± 0.0002 Å |
| b | 12.8659 ± 0.0003 Å |
| c | 13.8539 ± 0.0003 Å |
| α | 83.28 ± 0.001° |
| β | 84.374 ± 0.001° |
| γ | 69.611 ± 0.001° |
| Cell volume | 1733.76 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (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 2/01/87. |
2018782.cif 2018782.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. |
2018782.cif 2018782.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018782.cif 2018782.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2018782.cif 2018782.hkl |
| 75327 | 2013-03-09 | cif/ Adding structures of 2018782 via cif-deposit CGI script. |
2018782.cif |
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