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Information card for entry 2243376
Preview
| Coordinates | 2243376.cif |
|---|---|
| Structure factors | 2243376.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1,2-diphenyl-2-sulfanylideneethanethiolato-κ^2^<i>S</i>,<i>S</i>')(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)cobalt(II) dichloromethane hemisolvate |
|---|---|
| Formula | C35 H34 Cl Co N3 P S4 |
| Calculated formula | C35 H34 Cl Co N3 P S4 |
| Title of publication | A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane) |
| Authors of publication | Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 736 - 741 |
| a | 9.0954 ± 0.0007 Å |
| b | 13.4319 ± 0.0009 Å |
| c | 14.7905 ± 0.001 Å |
| α | 97.074 ± 0.003° |
| β | 94.68 ± 0.003° |
| γ | 107.354 ± 0.003° |
| Cell volume | 1698.1 ± 0.2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251180 (current) | 2020-04-25 | cif/ hkl/ Adding structures of 2243376 via cif-deposit CGI script. |
2243376.cif 2243376.hkl |
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Users of the data should acknowledge the original authors of the
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