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Information card for entry 4078190
Preview
Coordinates | 4078190.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H42 B F4 N2 P2 Rh |
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Calculated formula | C25 H42 B F4 N2 P2 Rh |
SMILES | [Rh]12([P](Cc3cccc(C[P]1(C(C)C)C(C)C)[n]23)(C(C)C)C(C)C)[NH2]c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | N‒H Activation by Rh(I) via Metal‒Ligand Cooperation |
Authors of publication | Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 11 |
Pages of publication | 4083 - 4101 |
a | 11.5987 ± 0.0004 Å |
b | 21.1484 ± 0.0007 Å |
c | 11.7603 ± 0.0004 Å |
α | 90° |
β | 102.226 ± 0.001° |
γ | 90° |
Cell volume | 2819.3 ± 0.17 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0639 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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