Information card for entry 7704045

Structure parameters

• Formula: C49 H43 Cl2 F6 N2 O3 P3 Ru
• Calculated formula: C49 H43 Cl2 F6 N2 O3 P3 Ru
• Title of publication: Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.
• Authors of publication: Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16193 - 16203
• a: 13.7656 ± 0.0003 Å
• b: 14.7135 ± 0.0003 Å
• c: 23.3155 ± 0.0005 Å
• α: 90°
• β: 91.892 ± 0.001°
• γ: 90°
• Cell volume: 4719.75 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No