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Information card for entry 4084097
Preview
Coordinates | 4084097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 Cl3 F6 Fe P Ru |
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Calculated formula | C24 H20 Cl3 F6 Fe P Ru |
SMILES | [Ru]123456789([c]%10([cH]1[cH]2[cH]3[cH]4[cH]5%10)C#C[c]12[cH]3[Fe]45%10%11%12%131([cH]2[cH]4[cH]35)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]6[cH]7[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl |
Title of publication | Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units |
Authors of publication | Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 18 |
Pages of publication | 5020 |
a | 17.4315 ± 0.0003 Å |
b | 10.9696 ± 0.0002 Å |
c | 14.0181 ± 0.0003 Å |
α | 90° |
β | 108.43 ± 0.001° |
γ | 90° |
Cell volume | 2543.01 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0301 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4084097.html
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Users of the data should acknowledge the original authors of the
structural data.