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Information card for entry 4510814
Preview
Coordinates | 4510814.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 |
---|---|
Calculated formula | C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 |
SMILES | [Pd]12([Cl][Pd]3([Cl]1)[N]1=C(N(S(=O)(=O)c4ccc(cc4)C)[C@@H]([C@H]1c1ccccc1)c1ccccc1)[c]14[Ru]56789%10%11([c]31[cH]7[cH]6[cH]45)[cH]1[cH]%11[cH]%10[cH]9[cH]81)[c]13[cH]4[Ru]56789%101([c]3([cH]5[cH]46)C1N(S(=O)(=O)c3ccc(cc3)C)[C@@H]([C@H]([N]2=1)c1ccccc1)c1ccccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101.C(Cl)Cl |
Title of publication | Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene |
Authors of publication | Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René |
Journal of publication | ACS Catalysis |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 1850 |
a | 11.5116 ± 0.0005 Å |
b | 13.6607 ± 0.0006 Å |
c | 39.4718 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6207.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0354 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54178 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/4510814.html
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