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Information card for entry 1556882
Preview
| Coordinates | 1556882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H68 B F24 Fe2 P4 Pd2 S8 |
|---|---|
| Calculated formula | C106 H68 B F24 Fe2 P4 Pd2 S8 |
| SMILES | [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C12=C(S[Pd]3([P](c4ccccc4)(c4ccccc4)[c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]4[cH]9[c]%10([cH]%115)[P]3(c3ccccc3)c3ccccc3)S1)SC(=C1SC3=C(S1)S[Pd]1([P]([c]45[cH]6[Fe]789%10%11%124([cH]5[cH]8[cH]67)[cH]4[c]9([cH]%10[cH]%11[cH]%124)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)S3)S2 |
| 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 | 13.503 ± 0.003 Å |
| b | 19.054 ± 0.004 Å |
| c | 28.239 ± 0.006 Å |
| α | 105.082 ± 0.005° |
| β | 91.975 ± 0.004° |
| γ | 90.73 ± 0.005° |
| Cell volume | 7009 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1467 |
| Residual factor for significantly intense reflections | 0.0914 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1556882.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. |
1556882.cif |
| 246360 | 2020-01-01 | cif/ Adding structures of 1556882, 1556883 via cif-deposit CGI script. |
1556882.cif |
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Users of the data should acknowledge the original authors of the
structural data.