Information card for entry 4337152

Structure parameters

• Formula: C22 H22 Cl2 N2 O Ru
• Calculated formula: C22 H22 Cl2 N2 O Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7C(=O)N1c1cc(Cl)ccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• 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: 16.1177 ± 0.001 Å
• b: 8.5924 ± 0.0005 Å
• c: 29.2109 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4045.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.08
• 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