Information card for entry 7016362

Structure parameters

• Formula: C23 H26 F6 N3 P Ru
• Calculated formula: C23 H26 F6 N3 P Ru
• SMILES: [Ru]123456([n]7ccc(N)cc7c7ccccc17)([N]#CC)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Library of second-generation cycloruthenated compounds and evaluation of their biological properties as potential anticancer drugs: Passing the nanomolar barrier.
• Authors of publication: Fetzer, Ludivine; Boff, Bastien; Ali, Moussa; Xiangjun, Meng; Collin, Jean-Paul; Sirlin, Claude; Gaiddon, Christian; Pfeffer, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8869 - 8878
• a: 9.3585 ± 0.0003 Å
• b: 10.3118 ± 0.0003 Å
• c: 26.0322 ± 0.0008 Å
• α: 90°
• β: 105.703 ± 0.001°
• γ: 90°
• Cell volume: 2418.42 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No