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Information card for entry 2019527
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| Coordinates | 2019527.cif |
|---|---|
| Structure factors | 2019527.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~3~-2,2'-(disulfanediyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>'',<i>O</i>'''](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] |
|---|---|
| Formula | C26 H16 Cd N2 O4 S2 |
| Calculated formula | C26 H16 Cd N2 O4 S2 |
| Title of publication | A two-dimensional Cd^II^ coordination polymer with 2,2'-(disulfanediyl)dibenzoate and 1,10-phenanthroline ligands |
| Authors of publication | Jin, Yu-Xiu; Yang, Fang; Yuan, Li-Min; Yan, Chao-Guo; Liu, Wen-Long |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 517 - 521 |
| a | 12.2769 ± 0.0018 Å |
| b | 12.4664 ± 0.0018 Å |
| c | 16.5885 ± 0.0017 Å |
| α | 90° |
| β | 116.011 ± 0.008° |
| γ | 90° |
| Cell volume | 2281.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0772 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019527.cif 2019527.hkl |
| 180863 | 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 2/01/95. |
2019527.cif 2019527.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. |
2019527.cif 2019527.hkl |
| 112419 | 2014-05-01 | cif/ hkl/ Adding structures of 2019527 via cif-deposit CGI script. |
2019527.cif 2019527.hkl |
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