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Information card for entry 2228644
Preview
| Coordinates | 2228644.cif |
|---|---|
| Structure factors | 2228644.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-2-phenylquinoline-4-carboxylato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] |
|---|---|
| Formula | C84 H56 Cd2 N8 O8 |
| Calculated formula | C84 H56 Cd2 N8 O8 |
| SMILES | C1(=[O][Cd]234([n]5ccccc5c5[n]4cccc5)([O]1[Cd]145([n]6ccccc6c6[n]1cccc6)([O]=C(c1cc(nc6c1cccc6)c1ccccc1)[O]34)[O]=C(O5)c1cc(nc3c1cccc3)c1ccccc1)[O]=C(O2)c1cc(nc2c1cccc2)c1ccccc1)c1c2ccccc2nc(c1)c1ccccc1 |
| Title of publication | Bis(μ-2-phenylquinoline-4-carboxylato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] |
| Authors of publication | Zha, Mei-Qin; Li, Xing; Bing, Yue |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m8 |
| a | 10 ± 0.002 Å |
| b | 13.047 ± 0.003 Å |
| c | 13.157 ± 0.003 Å |
| α | 91.513 ± 0.003° |
| β | 97.13 ± 0.003° |
| γ | 95.185 ± 0.003° |
| Cell volume | 1695.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228644.cif 2228644.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228644.cif 2228644.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228644.cif 2228644.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. | 2228644.cif 2228644.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228644.cif 2228644.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228644.cif 2228644.hkl |
| 9771 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228644 via cif-deposit CGI script. |
2228644.cif |
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