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Information card for entry 4084682
Preview
Coordinates | 4084682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H35 F6 Ir N3 P |
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Calculated formula | C33 H35 F6 Ir N3 P |
SMILES | [Ir]12345([n]6ccccc6c6ccccc16)([n]1ccc(cc1)N(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Potent Half-Sandwich Iridium(III) Anticancer Complexes Containing C(∧)N-Chelated and Pyridine Ligands. |
Authors of publication | Liu, Zhe; Romero-Canelón, Isolda; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5324 - 5333 |
a | 11.35929 ± 0.00014 Å |
b | 17.61495 ± 0.00018 Å |
c | 16.38866 ± 0.00019 Å |
α | 90° |
β | 105.578 ± 0.0012° |
γ | 90° |
Cell volume | 3158.79 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.023 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for significantly intense reflections | 0.0402 |
Weighted residual factors for all reflections included in the refinement | 0.0413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4084682.html
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