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Information card for entry 7716806
Preview
Coordinates | 7716806.cif |
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Original paper (by DOI) | HTML |
Chemical name | [Ir(PyBIm)(dmfp)~2~]PF~6~ \χdot H~2~O -[(2-(2-pyridyl)benzimidazole-κ^2^N,N?)-bis(3,5-dimethyl-1-phenyl-1H-pyrazole-κ^2^N,C)iridium(III)] hexafluorophosphate |
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Formula | C34 H31 F6 Ir N7 P |
Calculated formula | C34 H31 F6 Ir N7 P |
Title of publication | Synthesis, photophysical characterisation, quantum-chemical study and <i>in vitro</i> antiproliferative activity of cyclometalated Ir(III) complexes based on 3,5-dimethyl-1-phenyl-1<i>H</i>-pyrazole and N,N-donor ligands. |
Authors of publication | Masternak, Joanna; Okła, Karol; Kubas, Adam; Voller, Jiří; Kozlanská, Karolína; Zienkiewicz-Machnik, Małgorzata; Gilewska, Agnieszka; Sitkowski, Jerzy; Kamecka, Anna; Kazimierczuk, Katarzyna; Barszcz, Barbara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 34 |
Pages of publication | 14438 - 14450 |
a | 16.6526 ± 0.0004 Å |
b | 17.307 ± 0.0003 Å |
c | 27.5369 ± 0.0008 Å |
α | 90° |
β | 93.152 ± 0.002° |
γ | 90° |
Cell volume | 7924.3 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1053 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.2545 |
Weighted residual factors for all reflections included in the refinement | 0.2711 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
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/7716806.html
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