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Information card for entry 7053616
Preview
Coordinates | 7053616.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H52 B Cl4 F4 N2 P4 Rh |
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Calculated formula | C54 H52 B Cl4 F4 N2 P4 Rh |
SMILES | [Rh]123[P](CP(=[N]2CC[N]3=P(c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-] |
Title of publication | Iminophosphorane-based [P2N2] rhodium complexes: synthesis, reactivity, and application in catalysed transfer hydrogenation of polar bonds |
Authors of publication | Buchard, Antoine; Payet, Elina; Auffrant, Audrey; Goff, Xavier Le; Floch, Pascal Le |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 2943 |
a | 12.299 ± 0.001 Å |
b | 19.674 ± 0.001 Å |
c | 22.075 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5341.5 ± 0.6 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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