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Information card for entry 2237734
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| Coordinates | 2237734.cif |
|---|---|
| Structure factors | 2237734.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4) |
|---|---|
| Formula | C66 H74 Cd3 N8 O32 |
| Calculated formula | C66 H74 Cd3 N8 O32 |
| Title of publication | Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4) |
| Authors of publication | Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m191 - m192 |
| a | 10.3446 ± 0.0002 Å |
| b | 13.5779 ± 0.0003 Å |
| c | 14.6586 ± 0.0003 Å |
| α | 71.226 ± 0.003° |
| β | 71.364 ± 0.003° |
| γ | 69.221 ± 0.002° |
| Cell volume | 1772.85 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237734.cif 2237734.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237734.cif 2237734.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237734.cif 2237734.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237734.cif 2237734.hkl |
| 85495 | 2013-05-07 | cif/ Adding structures of 2237734 via cif-deposit CGI script. |
2237734.cif |
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Users of the data should acknowledge the original authors of the
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