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Information card for entry 8101915
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| Coordinates | 8101915.cif |
|---|
| Chemical name | dichloro((N-(N',N'-dimethylammonio)ethyl)-2,4-dichlorosalicylaldiminato- N,O)copper(II) |
|---|---|
| Formula | C11 H14 Cl4 Cu N2 O |
| Calculated formula | C11 H14 Cl4 Cu N2 O |
| SMILES | [Cu]1(Cl)(Cl)Oc2c(Cl)cc(Cl)cc2C=[N]1CC[NH+](C)C |
| Title of publication | Crystal structure of dichloro((N-(N',N'-dimethylammonio)-ethyl)-2, 4-dichlorosalicylaldiminato-N,O)copper(II), Cu(C~11~H~14~Cl~2~N~2~O) Cl~2~ |
| Authors of publication | Ma, J.-Y.; Wu, T.-X.; She, X.-G.; Pan, X.-F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 1 |
| Pages of publication | 53 - 54 |
| a | 7.737 ± 0.002 Å |
| b | 10.131 ± 0.002 Å |
| c | 20.229 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1585.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101915.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101915.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101915.cif |
| 12654 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101915 via cif-deposit CGI script. |
8101915.cif |
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