Information card for entry 4068482

Structure parameters

• Common name: pCymRu(Me)PTN.BF4
• Formula: C18 H32 B Cl3 F4 N3 P Ru
• Calculated formula: C18 H32 B Cl3 F4 N3 P Ru
• SMILES: [B](F)(F)(F)[F-].C[P]12CN3CN(C1)C[N](C3)(C)[Ru]134562([c]2([cH]1[cH]3[c]4([cH]5[cH]62)C)C(C)C)Cl.C(Cl)Cl
• Title of publication: Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta
• Authors of publication: Renfrew, Anna K.; Phillips, Andrew D.; Egger, Alexander E.; Hartinger, Christian G.; Bosquain, Sylvain S.; Nazarov, Alexey A.; Keppler, Bernhard K.; Gonsalvi, Luca; Peruzzini, Maurizio; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1165
• a: 12.6112 ± 0.0013 Å
• b: 12.8196 ± 0.0015 Å
• c: 15.4543 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No