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Information card for entry 7248029
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Coordinates | 7248029.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H39 Cu I P3 |
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Calculated formula | C41 H39 Cu I P3 |
Title of publication | Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments. |
Authors of publication | Lamahewage, Sujeewa N. S.; Atterberry, Benjamin A.; Dorn, Rick W.; Gi, Eunbyeol; Kimball, Maxwell R.; Blümel, Janet; Vela, Javier; Rossini, Aaron J. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 6 |
Pages of publication | 5081 - 5096 |
a | 20.3125 ± 0.0009 Å |
b | 10.3043 ± 0.0005 Å |
c | 17.1562 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3590.9 ± 0.3 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0237 |
Residual factor for significantly intense reflections | 0.0223 |
Weighted residual factors for significantly intense reflections | 0.0566 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248029.html
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Users of the data should acknowledge the original authors of the
structural data.