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Information card for entry 4313617
Preview
Coordinates | 4313617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H46 Cl2 N O3 P3 Ru |
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Calculated formula | C47 H46 Cl2 N O3 P3 Ru |
SMILES | [Ru]12345([P](CP(=NP(=O)(Oc6ccccc6)Oc6ccccc6)(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)(Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C |
Title of publication | Ruthenium(II) and Ruthenium(IV) Complexes Containing κ1-P-, κ2-P,O-, and κ3-P,N,O-Iminophosphorane-Phosphine Ligands Ph2PCH2P{NP(O)(OR)2}Ph2 (R = Et, Ph): Synthesis, Reactivity, Theoretical Studies, and Catalytic Activity in Transfer Hydrogenation of Cyclohexanone |
Authors of publication | Victorio Cadierno; Pascale Crochet; Josefina Díez; Joaquín García-Álvarez; Sergio E. García-Garrido; José Gimeno; Santiago García-Granda; Miguel A. Rodríguez |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3293 - 3307 |
a | 10.5181 ± 0.0011 Å |
b | 13.8693 ± 0.0016 Å |
c | 15.8555 ± 0.0015 Å |
α | 80.267 ± 0.006° |
β | 85.289 ± 0.006° |
γ | 70.543 ± 0.006° |
Cell volume | 2148.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0933 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1241 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4313617.html
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Users of the data should acknowledge the original authors of the
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