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Information card for entry 2228606
Preview
| Coordinates | 2228606.cif |
|---|---|
| Structure factors | 2228606.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)leucinato- κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate |
|---|---|
| Formula | C26 H27 Cu N3 O5 |
| Calculated formula | C26 H27 Cu N3 O5 |
| SMILES | [Cu]123([N]([C@H](C(=O)O2)CC(C)C)=Cc2c(O3)c(OC)ccc2)[n]2cccc3c2c2[n]1cccc2cc3.O |
| Title of publication | [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate |
| Authors of publication | Huang, Lei; Dong, Jianfang; Jing, Buqin; Li, Lianzhi; Wang, Daqi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1553 |
| a | 11.1981 ± 0.0012 Å |
| b | 10.419 ± 0.0011 Å |
| c | 21.298 ± 0.002 Å |
| α | 90° |
| β | 98.552 ± 0.001° |
| γ | 90° |
| Cell volume | 2457.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
2228606.cif 2228606.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. |
2228606.cif 2228606.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228606.cif 2228606.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. | 2228606.cif 2228606.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228606.cif 2228606.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228606.cif 2228606.hkl |
| 5804 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228602, 2228603, 2228604, 2228605, 2228606, 2228607, 2228608, 2228609, 2228610, 2228611 via cif-deposit CGI script. |
2228606.cif |
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Users of the data should acknowledge the original authors of the
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