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Information card for entry 7039901
Preview
Coordinates | 7039901.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H40 F12 N8 O P2 Ru |
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Calculated formula | C41 H40 F12 N8 O P2 Ru |
SMILES | [P](F)(F)(F)(F)(F)[F-].[n]12ccccc1c1cc(cc3c4cccc[n]4[Ru]452([n]13)[n]1ccccc1c1cccc([n]41)N1CCC[N]2=C1N5CCC2)c1ccccc1.O=C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties. |
Authors of publication | Laramée-Milette, Baptiste; Hanan, Garry S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 12507 - 12517 |
a | 13.4632 ± 0.0003 Å |
b | 17.4582 ± 0.0005 Å |
c | 19.4702 ± 0.0005 Å |
α | 69.392 ± 0.001° |
β | 80.492 ± 0.001° |
γ | 79.524 ± 0.001° |
Cell volume | 4186.57 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.0357 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.3418 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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