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Information card for entry 1570122
Preview
Coordinates | 1570122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H41 F5 I Ir O4 P2 |
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Calculated formula | C30 H41 F5 I Ir O4 P2 |
Title of publication | Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds. |
Authors of publication | Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 43 |
Pages of publication | 12308 - 12320 |
a | 10.62 ± 0.0002 Å |
b | 10.6749 ± 0.0002 Å |
c | 16.4369 ± 0.0003 Å |
α | 87.8506 ± 0.0015° |
β | 84.0788 ± 0.0015° |
γ | 68.7007 ± 0.0016° |
Cell volume | 1726.87 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0421 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for significantly intense reflections | 1.47 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.42 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1570122.html
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Users of the data should acknowledge the original authors of the
structural data.