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Information card for entry 1516506
Preview
Coordinates | 1516506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 Cl2 F6 N6 O3 P Ru |
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Calculated formula | C28 H24 Cl2 F6 N6 O3 P Ru |
SMILES | c12c(cc(cc1)OC)[N](=O)[Ru]13([N]2=O)([n]2ccccc2c2cccc[n]12)[n]1ccccc1c1cccc[n]31.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence |
Authors of publication | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 3883 |
a | 14.1173 ± 0.0002 Å |
b | 15.5837 ± 0.0002 Å |
c | 28.1669 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6196.71 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1333 |
Weighted residual factors for all reflections included in the refinement | 0.1407 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1516506.html
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