Information card for entry 4337147

Structure parameters

• Formula: C22 H24 Cl3 Ir N2 O2
• Calculated formula: C22 H24 Cl3 Ir N2 O2
• SMILES: [Ir]12345(Cl)([n]6ccccc6C(=O)N1c1ccc(Cl)cc1Cl)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.O
• 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: 9.7097 ± 0.0009 Å
• b: 14.634 ± 0.0015 Å
• c: 16.3669 ± 0.0015 Å
• α: 90°
• β: 96.546 ± 0.004°
• γ: 90°
• Cell volume: 2310.4 ± 0.4 ų
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No