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Information card for entry 2019113
Preview
| Coordinates | 2019113.cif |
|---|---|
| Structure factors | 2019113.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) dihydrate |
|---|---|
| Formula | C25 H23 Cd N7 O9 |
| Calculated formula | C25 H19 Cd N7 O9 |
| Title of publication | The supramolecular structure of a cadmium complex with the new functionalized terpyridine ligand 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (<i>L</i>1): aqua(<i>L</i>1-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II) dihydrate |
| Authors of publication | Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 822 - 825 |
| a | 7.9422 ± 0.0004 Å |
| b | 22.0793 ± 0.0011 Å |
| c | 15.5923 ± 0.0007 Å |
| α | 90° |
| β | 96.281 ± 0.004° |
| γ | 90° |
| Cell volume | 2717.8 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.1279 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (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 2/01/91. |
2019113.cif 2019113.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. |
2019113.cif 2019113.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019113.cif 2019113.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019113.cif 2019113.hkl |
| 88321 | 2013-09-04 | cif/ Adding structures of 2019113 via cif-deposit CGI script. |
2019113.cif |
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Users of the data should acknowledge the original authors of the
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