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Information card for entry 1570788
Preview
| Coordinates | 1570788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Nd(Cptt)3 |
|---|---|
| Formula | C39 H63 Nd |
| Calculated formula | C39 H63 Nd |
| Title of publication | Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. |
| Authors of publication | Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3003 - 3010 |
| a | 10.7938 ± 0.0003 Å |
| b | 19.4422 ± 0.0005 Å |
| c | 17.8596 ± 0.0005 Å |
| α | 90° |
| β | 104.394 ± 0.003° |
| γ | 90° |
| Cell volume | 3630.28 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.065 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290109 (current) | 2024-03-04 | cif/ Updating files of 1570788, 1570789 Original log message: Adding full bibliography for 1570788--1570789.cif. |
1570788.cif |
| 289101 | 2024-01-17 | cif/ Adding structures of 1570788, 1570789 via cif-deposit CGI script. |
1570788.cif |
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Users of the data should acknowledge the original authors of the
structural data.