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Information card for entry 4075273
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4075273.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H12 Cl4 F6 Ir N4 O2 P |
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Calculated formula | C13 H12 Cl4 F6 Ir N4 O2 P |
SMILES | [P](F)(F)(F)(F)(F)[F-].[O]#C[Ir]1(=C2N(C)C(=C(N2CCCN2C=1N(C)C(=C2Cl)Cl)Cl)Cl)C#[O] |
Title of publication | Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings |
Authors of publication | Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 12 |
Pages of publication | 3063 |
a | 8.0898 ± 0.0005 Å |
b | 15.8913 ± 0.001 Å |
c | 8.9124 ± 0.0005 Å |
α | 90° |
β | 104.882 ± 0.001° |
γ | 90° |
Cell volume | 1107.32 ± 0.12 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 8 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0579 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/4075273.html
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