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Information card for entry 2234848
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| Coordinates | 2234848.cif |
|---|---|
| Structure factors | 2234848.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]- μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C14 H12 Co I2 O6 |
| Calculated formula | C14 H12 Co I2 O6 |
| SMILES | [Co]1(OC(=O)c2c(I)cccc2)(OC(=O)c2c(I)cccc2)([OH2])([OH2])[O]=C(O[Co](OC(=O)c2c(I)cccc2)([OH2]1)[OH2])c1c(I)cccc1 |
| Title of publication | <i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m601 - m602 |
| a | 7.5051 ± 0.0003 Å |
| b | 10.5639 ± 0.0004 Å |
| c | 21.6723 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1718.25 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0202 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0509 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (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 2/23/48. |
2234848.cif 2234848.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. |
2234848.cif 2234848.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234848.cif 2234848.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. | 2234848.cif 2234848.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234848.cif 2234848.hkl |
| 60354 | 2012-06-14 | cif/ Adding structures of 2234848 via cif-deposit CGI script. |
2234848.cif |
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Users of the data should acknowledge the original authors of the
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