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Information card for entry 7055004
Preview
| Coordinates | 7055004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Cu N3 O5 |
|---|---|
| Calculated formula | C21 H19 Cu N3 O5 |
| SMILES | O1[Cu]2(OC(=N[N]2=Cc2c3c(c(cc(=O)o3)C)ccc12)c1ccccc1)[O]=CN(C)C |
| Title of publication | An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study |
| Authors of publication | Das, Kuheli; Panda, Uttam; Datta, Amitabha; Roy, Suman; Mondal, Sudipa; Massera, Chiara; Askun, Tulin; Celikboyun, Pinar; Garribba, Eugenio; Sinha, Chittaranjan; Anand, Kushi; Akitsu, Takashiro; Kobayashi, Kana |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 9 |
| Pages of publication | 7309 |
| a | 8.258 ± 0.001 Å |
| b | 11.221 ± 0.002 Å |
| c | 21.508 ± 0.003 Å |
| α | 90° |
| β | 97.19 ± 0.002° |
| γ | 90° |
| Cell volume | 1977.3 ± 0.5 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7055004.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055004.cif |
| 155222 | 2015-09-08 | cif/ Updating files of 7055004 Original log message: Adding full bibliography for 7055004.cif. |
7055004.cif |
| 152150 | 2015-07-17 | cif/ Adding structures of 7055004 via cif-deposit CGI script. |
7055004.cif |
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Users of the data should acknowledge the original authors of the
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