Information card for entry 4337146

Structure parameters

• Formula: C26 H23 Cl3 N2 O Ru
• Calculated formula: C26 H23 Cl3 N2 O Ru
• SMILES: [Ru]123456(Cl)([n]7c8c(ccc7C(=O)N1c1c(Cl)cccc1Cl)cccc8)[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: 8.4336 ± 0.0002 Å
• b: 14.5042 ± 0.0003 Å
• c: 19.5495 ± 0.0006 Å
• α: 90°
• β: 91.276 ± 0.001°
• γ: 90°
• Cell volume: 2390.75 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No