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Information card for entry 2238075
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| Coordinates | 2238075.cif |
|---|---|
| Structure factors | 2238075.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-4-formylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>^1^)copper(II)] |
|---|---|
| Formula | C56 H44 Cu2 N8 O16 |
| Calculated formula | C56 H44 Cu2 N8 O16 |
| Title of publication | Bis(μ-4-formylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>^1^)copper(II)] |
| Authors of publication | Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | m290 - m291 |
| a | 8.6462 ± 0.0002 Å |
| b | 11.6709 ± 0.0003 Å |
| c | 13.4339 ± 0.0004 Å |
| α | 87.876 ± 0.003° |
| β | 83.483 ± 0.003° |
| γ | 74.566 ± 0.002° |
| Cell volume | 1298.24 ± 0.06 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 | 0.1095 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181302 (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 2/23/80. |
2238075.cif 2238075.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. |
2238075.cif 2238075.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. |
2238075.cif 2238075.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238075.cif 2238075.hkl |
| 86789 | 2013-07-11 | cif/ Adding structures of 2238075 via cif-deposit CGI script. |
2238075.cif |
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Users of the data should acknowledge the original authors of the
structural data.