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Information card for entry 7008345
Preview
Coordinates | 7008345.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H44 N2 O P2 Ru S |
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Calculated formula | C50 H44 N2 O P2 Ru S |
SMILES | [Ru]1(Sc2n(cc[n]12)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C/c1ccc(cc1)C)C#[O] |
Title of publication | Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand. |
Authors of publication | Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 11 |
Pages of publication | 1930 - 1939 |
a | 22.696 ± 0.004 Å |
b | 17.373 ± 0.003 Å |
c | 23.941 ± 0.005 Å |
α | 90° |
β | 115.104 ± 0.004° |
γ | 90° |
Cell volume | 8548 ± 3 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1231 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.0761 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
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/7008345.html
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