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Information card for entry 1556880
Preview
| Coordinates | 1556880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H60 B F24 Ni2 P4 S8 |
|---|---|
| Calculated formula | C90 H60 B F24 Ni2 P4 S8 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)([Ni]21SC1=C(S2)SC(=C2SC3=C(S2)S[Ni]2([P](c4ccccc4)(c4ccccc4)CC[P]2(c2ccccc2)c2ccccc2)S3)S1)c1ccccc1.FC(F)(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)F |
| Title of publication | Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds |
| Authors of publication | Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 1066 - 1078 |
| a | 14.1624 ± 0.0015 Å |
| b | 18.3974 ± 0.0019 Å |
| c | 20.189 ± 0.002 Å |
| α | 94.073 ± 0.002° |
| β | 103.397 ± 0.002° |
| γ | 106.515 ± 0.002° |
| Cell volume | 4852.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257313 (current) | 2020-10-06 | cif/ Updating files of 1556876, 1556877, 1556878, 1556879, 1556880, 1556881, 1556882, 1556883 Original log message: Adding full bibliography for 1556876--1556883.cif. |
1556880.cif |
| 247635 | 2020-02-04 | cif/ Updating files of 1556876, 1556877, 1556878, 1556879, 1556880, 1556881, 1556882, 1556883 Original log message: Adding full bibliography for 1556876--1556883.cif. |
1556880.cif |
| 246359 | 2020-01-01 | cif/ Adding structures of 1556876, 1556877, 1556878, 1556879, 1556880, 1556881 via cif-deposit CGI script. |
1556880.cif |
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Users of the data should acknowledge the original authors of the
structural data.