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Information card for entry 7105279
Preview
Coordinates | 7105279.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H40 Cl2 F12 N6 O2 P2 Ru |
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Calculated formula | C50 H40 Cl2 F12 N6 O2 P2 Ru |
SMILES | [Ru]123([n]4cc(ccc4c4[n]1cc(cc4)c1cccc(OCC#C)c1)c1cccc(OCC#C)c1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(CCl)Cl |
Title of publication | Clicking hard-core sugar balls. |
Authors of publication | Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Rösel, Pirmin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 10 |
Pages of publication | 1628 - 1630 |
a | 13.0227 ± 0.0004 Å |
b | 26.5826 ± 0.0008 Å |
c | 15.1718 ± 0.0005 Å |
α | 90° |
β | 106.598 ± 0.001° |
γ | 90° |
Cell volume | 5033.3 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 8 |
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 | 0.0468 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for all reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.0357 |
Weighted residual factors for all reflections included in the refinement | 0.0341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0861 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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