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Information card for entry 2233035
Preview
| Coordinates | 2233035.cif |
|---|---|
| Structure factors | 2233035.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[3-(3- hydroxyphenyl)propenoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium |
|---|---|
| Formula | C38 H30 Cd N4 O6 |
| Calculated formula | C38 H30 Cd N4 O6 |
| SMILES | [Cd]1234([n]5ccccc5c5cccc[n]15)([n]1ccccc1c1cccc[n]21)([O]=C(/C=C/c1cccc(c1)O)O3)[O]=C(/C=C/c1cccc(c1)O)O4 |
| Title of publication | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[3-(3-hydroxyphenyl)propenoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium |
| Authors of publication | Zhang, Chun-Yan; Wen, Yi-Hang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1909 |
| a | 8.7769 ± 0.0016 Å |
| b | 36.711 ± 0.007 Å |
| c | 13.188 ± 0.002 Å |
| α | 90° |
| β | 126.382 ± 0.01° |
| γ | 90° |
| Cell volume | 3421 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233035.cif 2233035.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. |
2233035.cif 2233035.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233035.cif 2233035.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. | 2233035.cif 2233035.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233035.cif 2233035.hkl |
| 31929 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233035 via cif-deposit CGI script. |
2233035.cif |
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Users of the data should acknowledge the original authors of the
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