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Information card for entry 1557717
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Coordinates | 1557717.cif |
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Original paper (by DOI) | HTML |
Common name | ACC_73_150K |
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Formula | C27.75 H28.75 Cl2.25 F6 Ir N2 P |
Calculated formula | C27.75 H28.75 Cl2.25 F6 Ir N2 P |
Title of publication | Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. |
Authors of publication | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2020 |
a | 8.8214 ± 0.0002 Å |
b | 12.811 ± 0.0004 Å |
c | 13.5282 ± 0.0004 Å |
α | 81.1829 ± 0.0016° |
β | 82.9683 ± 0.0014° |
γ | 87.8789 ± 0.0015° |
Cell volume | 1499.15 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0426 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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249976 (current) | 2020-04-03 | cif/ Adding structures of 1557717 via cif-deposit CGI script. |
1557717.cif |
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Users of the data should acknowledge the original authors of the
structural data.