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Information card for entry 7026051
Preview
Coordinates | 7026051.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jontt15 |
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Formula | C29 H37 B F2 N6 P Rh |
Calculated formula | C29 H37 B F2 N6 P Rh |
SMILES | [RhH]12([P](c3ccccc3)(C)C)([n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)c1c(F)c(F)ccc1 |
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 | 10.2523 ± 0.0009 Å |
b | 11.6983 ± 0.001 Å |
c | 12.3627 ± 0.0011 Å |
α | 92.716 ± 0.002° |
β | 95.959 ± 0.002° |
γ | 92.041 ± 0.002° |
Cell volume | 1471.8 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1019 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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