Information card for entry 7705746

Structure parameters

• Formula: C41 H41.5 B Cl F4 N O0.25 P2 Ru
• Calculated formula: C41 H41.5 B Cl F4 N O0.25 P2 Ru
• Title of publication: Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.
• Authors of publication: da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16498 - 16514
• a: 10.796 ± 0.0006 Å
• b: 12.236 ± 0.0007 Å
• c: 15.309 ± 0.0005 Å
• α: 96.965 ± 0.003°
• β: 91.221 ± 0.003°
• γ: 97.427 ± 0.002°
• Cell volume: 1989.15 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No