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Information card for entry 7026053
Preview
Coordinates | 7026053.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jontt12 |
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Formula | C23 H33 B Cl2 N6 P Rh |
Calculated formula | C23 H33 B Cl2 N6 P Rh |
SMILES | [Rh]12(Cl)(Cl)([P](c3ccccc3)(C)C)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C |
Title of publication | Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents. |
Authors of publication | Tanabe, Taro; Brennessel, William W.; Clot, Eric; Eisenstein, Odile; Jones, William D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 43 |
Pages of publication | 10495 - 10509 |
a | 11.3576 ± 0.0019 Å |
b | 13.122 ± 0.002 Å |
c | 18.725 ± 0.003 Å |
α | 90° |
β | 105.373 ± 0.003° |
γ | 90° |
Cell volume | 2690.8 ± 0.7 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.1119 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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