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Information card for entry 2242703
Preview
| Coordinates | 2242703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis(dppe))nickel(II) bis(triflate) |
|---|---|
| Chemical name | bis([1,2-bis(diphenylphosphino)ethane])nickel(II) bis(trifluoromethanesulfonate) |
| Formula | C54 H48 F6 Ni O6 P4 S2 |
| Calculated formula | C54 H48 F6 Ni O6 P4 S2 |
| Title of publication | Crystal structure at 100K of bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material |
| Authors of publication | Cano-Benítez, Cristian A.; Metta-Magaña, Alejandro J.; Duarte-Ruiz, Álvaro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1678 - 1681 |
| a | 10.984 ± 0.008 Å |
| b | 16.087 ± 0.012 Å |
| c | 14.375 ± 0.01 Å |
| α | 90° |
| β | 97.996 ± 0.013° |
| γ | 90° |
| Cell volume | 2515 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| 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 | 0.1098 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242703.cif |
| 211746 | 2018-11-01 | cif/ hkl/ Adding structures of 2242703 via cif-deposit CGI script. |
2242703.cif |
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Users of the data should acknowledge the original authors of the
structural data.