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Information card for entry 4068387
Preview
Coordinates | 4068387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H41 I N4 P3 Rh |
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Calculated formula | C31 H41 I N4 P3 Rh |
SMILES | [Rh]12(c3c(C[P]2(n2cccc2)n2cccc2)cccc3C[P]1(n1cccc1)n1cccc1)(I)(C)[P](CC)(CC)CC |
Title of publication | Structure and Reactivity of Rhodium(I) Complexes Based on Electron-Withdrawing Pyrrolyl-PCP-Pincer Ligands |
Authors of publication | Kossoy, Elizaveta; Rybtchinski, Boris; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 523 |
a | 16.2351 ± 0.0002 Å |
b | 10.6516 ± 0.0004 Å |
c | 19.0486 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3294.07 ± 0.13 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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