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Information card for entry 2232347
Preview
| Coordinates | 2232347.cif |
|---|---|
| Structure factors | 2232347.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium] |
|---|---|
| Formula | C26 H16 Cd N2 O4 |
| Calculated formula | C26 H16 Cd N2 O4 |
| SMILES | [Cd]1234([n]5cccc6c5c5[n]1cccc5cc6)([O]=C(O2)c1cc(ccc1)c1cc(ccc1)C(=[O]1)[O]2[Cd]567([n]8cccc9c8c8[n]5cccc8cc9)([O]=C(O6)c5cc(ccc5)c5cc(ccc5)C(=[O]5)[O]46)[O]=C([O]7[Cd]412[n]1cccc2c1c1[n]4cccc1cc2)c1cc(ccc1)c1cc(ccc1)C(=O)[O-])[O]=C([O]3[Cd]156[n]2cccc3c2c2[n]1cccc2cc3)c1cc(c2cc(C(=O)[O-])ccc2)ccc1 |
| Title of publication | Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium] |
| Authors of publication | Qiu, Yu-E |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1557 |
| a | 26.1947 ± 0.0017 Å |
| b | 9.7258 ± 0.0005 Å |
| c | 21.2247 ± 0.0014 Å |
| α | 90° |
| β | 127.411 ± 0.001° |
| γ | 90° |
| Cell volume | 4295 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (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 2/23/23. |
2232347.cif 2232347.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. |
2232347.cif 2232347.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232347.cif 2232347.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. | 2232347.cif 2232347.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232347.cif 2232347.hkl |
| 31002 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232347 via cif-deposit CGI script. |
2232347.cif |
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Users of the data should acknowledge the original authors of the
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