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Information card for entry 2229492
Preview
| Coordinates | 2229492.cif |
|---|---|
| Structure factors | 2229492.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate |
|---|---|
| Formula | C26 H24 Cu N2 O7 |
| Calculated formula | C26 H24 Cu N2 O7 |
| SMILES | [Cu]1([n]2ccccc2c2[n]1cccc2)(OC(=O)c1cccc(c1)OC)OC(=O)c1cccc(c1)OC.O |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate |
| Authors of publication | Lin, Ming-Hao; Zhou, Jing-Fan; Liu, Bin-Bin; Lin, Jian-Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m352 |
| a | 19.888 ± 0.004 Å |
| b | 10.887 ± 0.002 Å |
| c | 11.612 ± 0.002 Å |
| α | 90° |
| β | 103.62 ± 0.03° |
| γ | 90° |
| Cell volume | 2443.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181215 (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 2/22/94. |
2229492.cif 2229492.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. |
2229492.cif 2229492.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229492.cif 2229492.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. | 2229492.cif 2229492.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229492.cif 2229492.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229492.cif 2229492.hkl |
| 17550 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229492 via cif-deposit CGI script. |
2229492.cif |
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Users of the data should acknowledge the original authors of the
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