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Information card for entry 2018265
Preview
| Coordinates | 2018265.cif |
|---|---|
| Structure factors | 2018265.hkl |
| Original IUCr paper | HTML |
| Chemical name | {bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(perchlorato-κ<i>O</i>)copper(II) perchlorate |
|---|---|
| Formula | C17 H27 Cl2 Cu N7 O8 |
| Calculated formula | C17 H27 Cl2 Cu N7 O8 |
| SMILES | [Cu]12([NH](Cn3[n]2c(cc3C)C)Cn2[n]1c(cc2C)C)(OCl(=O)(=O)=O)[n]1[nH]c(cc1C)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | <i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine |
| Authors of publication | Yu, Fan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m331 - m334 |
| a | 37.574 ± 0.003 Å |
| b | 8.5769 ± 0.0004 Å |
| c | 15.661 ± 0.001 Å |
| α | 90° |
| β | 105.938 ± 0.008° |
| γ | 90° |
| Cell volume | 4853 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1075 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 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 2/01/82. |
2018265.cif 2018265.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. |
2018265.cif 2018265.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018265.cif 2018265.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. | 2018265.cif 2018265.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2018265.cif 2018265.hkl |
| 29415 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018265, 2018266 via cif-deposit CGI script. |
2018265.cif |
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Users of the data should acknowledge the original authors of the
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