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Information card for entry 4513768
Preview
Coordinates | 4513768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 Cl F6 N3 P Rh |
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Calculated formula | C28 H36 Cl F6 N3 P Rh |
SMILES | c1n(cc2[n+]1c1cccc[n]1[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl)C12CC3CC(C2)CC(C1)C3.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules |
Authors of publication | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta |
Journal of publication | ACS Catalysis |
Year of publication | 2015 |
Pages of publication | 709 |
a | 16.0545 ± 0.0003 Å |
b | 7.2176 ± 0.0001 Å |
c | 24.4803 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2836.65 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0282 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections included in the refinement | 0.0576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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