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Information card for entry 7063693
Preview
| Coordinates | 7063693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 Cl2 Mo N4 O3 |
|---|---|
| Calculated formula | C14 H26 Cl2 Mo N4 O3 |
| Title of publication | Cyclam-based molybdenum carbonyl complexes as a novel class of cytotoxic agents |
| Authors of publication | Teles, Tamara; Fernandes, Auguste; Ferreira, Maria João; Côrte-Real, Leonor; Marques, Fernanda; Correia, João D. G.; Alves, Luis G. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| Journal volume | 49 |
| Journal issue | 14 |
| Pages of publication | 5766 - 5772 |
| a | 8.933 ± 0.001 Å |
| b | 17.321 ± 0.002 Å |
| c | 13.139 ± 0.002 Å |
| α | 90° |
| β | 104.667 ± 0.005° |
| γ | 90° |
| Cell volume | 1966.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299028 (current) | 2025-04-05 | cif/ Updating files of 7063693 Original log message: Adding full bibliography for 7063693.cif. |
7063693.cif |
| 298432 | 2025-03-14 | cif/ Adding structures of 7063693 via cif-deposit CGI script. |
7063693.cif |
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Users of the data should acknowledge the original authors of the
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