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Information card for entry 4065089
Preview
Coordinates | 4065089.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1473 rasc449 (R~Ru~)-[RuCl(p-cymene)((4S,1'R,R~Fc~)-19)]PF~6~ |
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Chemical name | (R~Ru~)-Chloro[(4S,1'R,RFc)-2-(4,5-dihydro-4-phenyloxazol-2-yl-κN)- 1-[1-(diphenylphosphino)ethyl-κP]-ferrocene](ν~6~-p-cymene)ruthenium hexafluorophosphate |
Formula | C43 H44 Cl F6 Fe N O P2 Ru |
Calculated formula | C43 H44 Cl F6 Fe N O P2 Ru |
SMILES | [Ru]123456(Cl)([P]([C@@H]([c]78[cH]9[Fe]%10%11%12%13%14%157([c]8([cH]%10[cH]9%11)C7OC[C@@H]([N]1=7)c1ccccc1)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)C)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations |
Authors of publication | Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4711 |
a | 11.539 ± 0.002 Å |
b | 12.534 ± 0.002 Å |
c | 54.612 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7899 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1381 |
Residual factor for significantly intense reflections | 0.1288 |
Weighted residual factors for significantly intense reflections | 0.2681 |
Weighted residual factors for all reflections included in the refinement | 0.2726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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