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Information card for entry 4083802
Preview
Coordinates | 4083802.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H42 B2 Cl6 F8 N6 O4 Rh2 |
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Calculated formula | C47 H42 B2 Cl6 F8 N6 O4 Rh2 |
SMILES | [Rh]123([Rh]([O]=C(O2)C)(OC(=[O]1)C)([n]1c(c2cc4ccccc4cc2)ccc2c1[n]3ccc2)[N]#CC)([n]1c2c(ccc(n2)c2ccc3c(c2)cccc3)ccc1)[N]#CC.[B](F)(F)(F)[F-].ClCCl.[B](F)(F)(F)[F-].ClCCl.ClCCl |
Title of publication | Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit |
Authors of publication | Patra, Sanjib K.; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 26 |
Pages of publication | 6054 |
a | 11.6974 ± 0.0017 Å |
b | 22.563 ± 0.003 Å |
c | 21.13 ± 0.003 Å |
α | 90° |
β | 95.951 ± 0.003° |
γ | 90° |
Cell volume | 5546.8 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1353 |
Residual factor for significantly intense reflections | 0.0866 |
Weighted residual factors for significantly intense reflections | 0.1777 |
Weighted residual factors for all reflections included in the refinement | 0.2016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4083802.html
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