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Information card for entry 2018408
Preview
| Coordinates | 2018408.cif |
|---|---|
| Structure factors | 2018408.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~- pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5- dicarboxylato)tetracadmium(II)] dihydrate] |
|---|---|
| Formula | C35 H26 Cd4 N10 O15 |
| Calculated formula | C35 H26 Cd4 N10 O15 |
| Title of publication | A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate] |
| Authors of publication | Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m76 - m79 |
| a | 15.574 ± 0.003 Å |
| b | 16.197 ± 0.003 Å |
| c | 16.928 ± 0.003 Å |
| α | 90° |
| β | 109.21 ± 0.03° |
| γ | 90° |
| Cell volume | 4032.4 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (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 2/01/84. |
2018408.cif 2018408.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018408.cif 2018408.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018408.cif 2018408.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. | 2018408.cif 2018408.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018408.cif 2018408.hkl |
| 51024 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018408 via cif-deposit CGI script. |
2018408.cif |
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Users of the data should acknowledge the original authors of the
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