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Information card for entry 7059675
Preview
| Coordinates | 7059675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H42 Cl N3 O P2 Ru |
|---|---|
| Calculated formula | C53 H42 Cl N3 O P2 Ru |
| SMILES | c1cccc2[n]1[Ru](C#[O])(Cl)(N2/N=C/c1cccc2ccccc12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity |
| Authors of publication | Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 26 |
| Pages of publication | 11022 - 11034 |
| a | 20.496 ± 0.001 Å |
| b | 10.4384 ± 0.0005 Å |
| c | 22.9609 ± 0.0011 Å |
| α | 90° |
| β | 114.403 ± 0.002° |
| γ | 90° |
| Cell volume | 4473.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.43 K |
| Number of distinct elements | 7 |
| 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257720 (current) | 2020-10-06 | cif/ Updating files of 7059673, 7059674, 7059675, 7059676 Original log message: Adding full bibliography for 7059673--7059676.cif. |
7059675.cif |
| 255066 | 2020-08-06 | cif/ Updating files of 7059673, 7059674, 7059675, 7059676 Original log message: Adding full bibliography for 7059673--7059676.cif. |
7059675.cif |
| 252638 | 2020-06-04 | cif/ Adding structures of 7059673, 7059674, 7059675, 7059676 via cif-deposit CGI script. |
7059675.cif |
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Users of the data should acknowledge the original authors of the
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