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Information card for entry 4337148
Preview
Coordinates | 4337148.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H25 Cl4 Ir N2 O |
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Calculated formula | C23 H25 Cl4 Ir N2 O |
SMILES | [Ir]12345(Cl)([n]6ccccc6C(=O)N1c1cc(Cl)ccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.ClCCl |
Title of publication | Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents. |
Authors of publication | Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 2 |
Pages of publication | 727 - 736 |
a | 7.7924 ± 0.001 Å |
b | 22.664 ± 0.003 Å |
c | 14.6133 ± 0.0019 Å |
α | 90° |
β | 97.996 ± 0.006° |
γ | 90° |
Cell volume | 2555.7 ± 0.6 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0346 |
Weighted residual factors for all reflections included in the refinement | 0.0406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/4337148.html
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