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Information card for entry 2234340
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| Coordinates | 2234340.cif |
|---|---|
| Structure factors | 2234340.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')cadmium] |
|---|---|
| Formula | C54 H44 Cd2 N4 O8 S2 |
| Calculated formula | C54 H44 Cd2 N4 O8 S2 |
| Title of publication | Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium] |
| Authors of publication | Li, Long; Ding, Yu-Qiu; Diao, Kai-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m511 |
| a | 13.567 ± 0.003 Å |
| b | 11.572 ± 0.003 Å |
| c | 15.595 ± 0.004 Å |
| α | 90° |
| β | 92.54 ± 0.003° |
| γ | 90° |
| Cell volume | 2446 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234340.cif 2234340.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2234340.cif 2234340.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234340.cif 2234340.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. | 2234340.cif 2234340.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234340.cif 2234340.hkl |
| 55611 | 2012-05-05 | cif/ Adding structures of 2234340 via cif-deposit CGI script. |
2234340.cif |
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Users of the data should acknowledge the original authors of the
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