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Information card for entry 4081096
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4081096.cif |
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Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | C34 H25 Cl2 F5 Fe N Pt |
Calculated formula | C34 H25 Cl2 F5 Fe N Pt |
SMILES | [Pt]12(Cl)([n]3cccc4ccc5cccc(c5c34)[CH]1=[C]2(Cl)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)c1c(c(c(c(c1F)F)F)F)F.CCCCCC |
Title of publication | Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex |
Authors of publication | Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 14 |
Pages of publication | 3943 |
a | 13.5378 ± 0.0002 Å |
b | 31.6724 ± 0.0006 Å |
c | 14.2095 ± 0.0003 Å |
α | 90° |
β | 95.402 ± 0.001° |
γ | 90° |
Cell volume | 6065.61 ± 0.19 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4081096.html
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Users of the data should acknowledge the original authors of the
structural data.