Information card for entry 4337149

Structure parameters

• Formula: C22 H25 Cl2 N2 O2.5 Ru
• Calculated formula: C22 H25 Cl2 N2 O2.5 Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7C(=O)N1c1ccccc1Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.O.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: 17.82 ± 0.0004 Å
• b: 10.5378 ± 0.0002 Å
• c: 24.2106 ± 0.0006 Å
• α: 90°
• β: 102.25 ± 0.001°
• γ: 90°
• Cell volume: 4442.84 ± 0.17 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: 0.0357
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No