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Information card for entry 4079320
Preview
Coordinates | 4079320.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 B Cl2 N7 O3 P Ru |
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Calculated formula | C22 H27 B Cl2 N7 O3 P Ru |
SMILES | [Ru]12([P]34OCC(O3)(CO4)C)([N]#CC)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)c1ccccc1.ClCCl |
Title of publication | Catalytic Hydroarylation of Ethylene Using TpRu(L)(NCMe)Ph (L = 2,6,7-Trioxa-1-phosphabicyclo[2,2,1]heptane): Comparison to TpRu(L′)(NCMe)Ph Systems (L′ = CO, PMe3, P(pyr)3, or P(OCH2)3CEt) |
Authors of publication | Joslin, Evan E.; McMullin, Claire L.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 19 |
Pages of publication | 6851 |
a | 7.8849 ± 0.0002 Å |
b | 12.4914 ± 0.0003 Å |
c | 14.3261 ± 0.0003 Å |
α | 81.278 ± 0.001° |
β | 88.846 ± 0.001° |
γ | 75.726 ± 0.001° |
Cell volume | 1351.43 ± 0.06 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4079320.html
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Users of the data should acknowledge the original authors of the
structural data.