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Information card for entry 7059320
Preview
| Coordinates | 7059320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dtc |
|---|---|
| Formula | C45 H62 N4 P2 Re2 S8 |
| Calculated formula | C45 H62 N4 P2 Re2 S8 |
| SMILES | [Re]123([Re]45([S]=C(S4)N(CC)CC)([S]=C(S5)N(CC)CC)[P](c4ccccc4)(C[P]2(c2ccccc2)c2ccccc2)c2ccccc2)([S]=C(S1)N(CC)CC)[S]=C(S3)N(CC)CC |
| Title of publication | The first examples of triply bonded dirhenium(II,II) complexes that contain bis(diphenylphosphino)methane and dithiocarbamato ligands: spectroscopic, structural, cytotoxicity and computational studies |
| Authors of publication | Mandal, Suman; Mallick, Suman; Garu, Purnananda; Chowdhury, Jagannath; Samadder, Asmita; Das, Jayeeta; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Swarup |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 4081 - 4091 |
| a | 10.972 ± 0.003 Å |
| b | 11.579 ± 0.003 Å |
| c | 22.431 ± 0.006 Å |
| α | 85.129 ± 0.007° |
| β | 78.968 ± 0.007° |
| γ | 68.6 ± 0.006° |
| Cell volume | 2603.9 ± 1.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1371 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257652 (current) | 2020-10-06 | cif/ Updating files of 7059320 Original log message: Adding full bibliography for 7059320.cif. |
7059320.cif |
| 250334 | 2020-04-05 | cif/ Updating files of 7059320 Original log message: Adding full bibliography for 7059320.cif. |
7059320.cif |
| 248198 | 2020-02-15 | cif/ Adding structures of 7059320 via cif-deposit CGI script. |
7059320.cif |
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Users of the data should acknowledge the original authors of the
structural data.