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Information card for entry 4131794
Preview
Coordinates | 4131794.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H68 Al Rh Si2 |
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Calculated formula | C40 H68 Al Rh Si2 |
SMILES | [C]12([Al]([C]3(=[CH]4C5[CH]=1[Rh]1672345[CH]2=[CH]1CC[CH]7=[CH]6CC2)[Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C)C)C)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation. |
Authors of publication | Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 49 |
Pages of publication | 17763 - 17766 |
a | 8.712 ± 0.0015 Å |
b | 14.672 ± 0.003 Å |
c | 15.413 ± 0.003 Å |
α | 88.518 ± 0.006° |
β | 86.632 ± 0.007° |
γ | 81.287 ± 0.006° |
Cell volume | 1943.7 ± 0.6 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.083 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1155 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71075 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/4131794.html
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