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Information card for entry 7040351
Preview
Coordinates | 7040351.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | PHPYIrCP1 |
---|---|
Formula | C41 H41 Cl F6 Ir N6 O2 P |
Calculated formula | C41 H41 Cl F6 Ir N6 O2 P |
SMILES | [Ir]12345(Cl)([n]6c7c8[n]1cccc8c1nc(c(nc1c7ccc6)c1ncccc1)c1ncccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].c1c(cccc1)C.O.O |
Title of publication | Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects. |
Authors of publication | Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 15122 - 15136 |
a | 8.7494 ± 0.0007 Å |
b | 12.8229 ± 0.0009 Å |
c | 18.0175 ± 0.0014 Å |
α | 95.984 ± 0.002° |
β | 92.269 ± 0.002° |
γ | 92.255 ± 0.002° |
Cell volume | 2006.9 ± 0.3 Å3 |
Cell temperature | 77 ± 2 K |
Ambient diffraction temperature | 77 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1017 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7040351.html
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