Information card for entry 4343953

Structure parameters

• Formula: C45 H39 F6 N4 O0.5 P2 Ru
• Calculated formula: C43 H34 F6 N4 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(c3c(cccc3)c3[n]1cccc3)([n]1cccc3ccc4ccc[n]2c4c13)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.
• Authors of publication: Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7617 - 7626
• a: 14.807 ± 0.002 Å
• b: 14.232 ± 0.002 Å
• c: 21.532 ± 0.003 Å
• α: 90°
• β: 106.085 ± 0.004°
• γ: 90°
• Cell volume: 4359.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No