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Information card for entry 1556622
Preview
Coordinates | 1556622.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H41 Cu F6 N O P3 S |
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Calculated formula | C45 H41 Cu F6 N O P3 S |
SMILES | CC([S]1Cc2[n](cccc2)[Cu]21[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]2(c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6] |
Authors of publication | Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C. |
Journal of publication | Inorganics |
Year of publication | 2019 |
Journal volume | 7 |
Pages of publication | 11 |
a | 14.0474 ± 0.0011 Å |
b | 17.4236 ± 0.0014 Å |
c | 18.3028 ± 0.0013 Å |
α | 90° |
β | 109.786 ± 0.002° |
γ | 90° |
Cell volume | 4215.3 ± 0.6 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0762 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections | 0.1728 |
Weighted residual factors for significantly intense reflections | 0.1724 |
Weighted residual factors for all reflections included in the refinement | 0.1728 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9944 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556622.html
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