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Information card for entry 2018415
Preview
| Coordinates | 2018415.cif |
|---|---|
| Structure factors | 2018415.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II) |
|---|---|
| Formula | C14 H19 Cu N3 O4 |
| Calculated formula | C14 H19 Cu N3 O4 |
| SMILES | [Cu]12([n]3c(N)nccc3)(OC(=CC(=[O]1)C)C)[O]=C(C=C(O2)C)C |
| Title of publication | (Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II) |
| Authors of publication | Perdih, Franc |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m64 - m68 |
| a | 7.5686 ± 0.0003 Å |
| b | 8.3504 ± 0.0003 Å |
| c | 25.6871 ± 0.001 Å |
| α | 90° |
| β | 93.081 ± 0.001° |
| γ | 90° |
| Cell volume | 1621.1 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018415.cif 2018415.hkl |
| 180853 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018415.cif 2018415.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018415.cif 2018415.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2018415.cif 2018415.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018415.cif 2018415.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. | 2018415.cif 2018415.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018415.cif 2018415.hkl |
| 51170 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018414, 2018415 via cif-deposit CGI script. |
2018415.cif |
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