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Information card for entry 4075172
Preview
Coordinates | 4075172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H31 Cl3 N2 Ru |
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Calculated formula | C25 H31 Cl3 N2 Ru |
SMILES | ClCCl.[Ru]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)C=CN1C=CN(C=61)c1c(cc(cc1C)C)C |
Title of publication | A Bidentate NHC−Alkenyl Ruthenium(II) Complex via Vinyl C−H Bond Activation |
Authors of publication | Cariou, Renan; Fischmeister, Cédric; Toupet, Loïc; Dixneuf, Pierre H. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 9 |
Pages of publication | 2126 |
a | 10.8165 ± 0.0005 Å |
b | 17.403 ± 0.0006 Å |
c | 13.4365 ± 0.0008 Å |
α | 90° |
β | 90.181 ± 0.003° |
γ | 90° |
Cell volume | 2529.3 ± 0.2 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0754 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1552 |
Weighted residual factors for all reflections included in the refinement | 0.1708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71069 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/4075172.html
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