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Information card for entry 1520062
Preview
Coordinates | 1520062.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H23 F12 N14 O0.5 P2 Ru |
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Calculated formula | C40 H23 F12 N14 O0.5 P2 Ru |
SMILES | [Ru]123([n]4ccnc5c4c4[n]2ccnc4cc5)([n]2c4c5[n]1ccnc5ccc4ncc2)[n]1c2c(ccc1)c1nc4c(nc1c1c2[n]3ccc1)c1nccnc1cc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O |
Title of publication | Detailed Biological Profiling of a Photoactivated and Apoptosis Inducing pdppz Ruthenium(II) Polypyridyl Complex in Cancer Cells. |
Authors of publication | Cloonan, Suzanne M.; Elmes, Robert B. P.; Erby, MariaLuisa; Bright, Sandra A.; Poynton, Fergus E.; Nolan, Derek E.; Quinn, Susan J.; Gunnlaugsson, Thorfinnur; Williams, D. Clive |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2015 |
Journal volume | 58 |
Journal issue | 11 |
Pages of publication | 4494 - 4505 |
a | 9.2489 ± 0.0003 Å |
b | 12.1579 ± 0.0004 Å |
c | 18.0824 ± 0.0006 Å |
α | 82.455 ± 0.002° |
β | 82.843 ± 0.002° |
γ | 81.221 ± 0.002° |
Cell volume | 1980.72 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0483 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1520062.html
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Users of the data should acknowledge the original authors of the
structural data.