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Information card for entry 2018178
Preview
| Coordinates | 2018178.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | poly[aquahemi[μ~4~-1,6-bis(1,2,4- triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)] |
|---|---|
| Formula | C13 H13 Cd N4 O7 |
| Calculated formula | C13 H13 Cd N4 O7 |
| Title of publication | A rare `mesh of trees' (mot) net: poly[aquahemi[μ~4~-1,6-bis(1,2,4-triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)] |
| Authors of publication | Li, Jing; Wu, Ren-Tao; Li, Hong-Bo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m284 - m286 |
| a | 10.292 ± 0.002 Å |
| b | 11.25 ± 0.003 Å |
| c | 13.339 ± 0.003 Å |
| α | 90° |
| β | 90.644 ± 0.003° |
| γ | 90° |
| Cell volume | 1544.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
2018178.cif |
| 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. |
2018178.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018178.cif |
| 26993 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2018178 via cif-deposit CGI script. |
2018178.cif |
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