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Information card for entry 4065245
Preview
Coordinates | 4065245.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cp*RuCl(3,5-(CH3)2C6H3NC(CF3))2CH) |
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Formula | C31 H34 Cl F6 N2 Ru |
Calculated formula | C31 H34 Cl F6 N2 Ru |
SMILES | c1(cc(cc(c1)C)C)[N]1=C(C(F)(F)F)C=C(C(F)(F)F)N(c2cc(cc(c2)C)C)[Ru]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl |
Title of publication | Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands |
Authors of publication | Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6119 |
a | 12.6771 ± 0.0007 Å |
b | 8.2347 ± 0.0005 Å |
c | 30.471 ± 0.002 Å |
α | 90° |
β | 110.43 ± 0.005° |
γ | 90° |
Cell volume | 2980.8 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0887 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065245.html
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Users of the data should acknowledge the original authors of the
structural data.