Information card for entry 4074790

Structure parameters

• Formula: C14 H25 B Cl F4 N4 O P Ru
• Calculated formula: C14 H25 B Cl F4 N4 O P Ru
• SMILES: [Ru]123456(Cl)([P]78CN9CN(C7)CN(C8)C9)[cH]7[cH]3[cH]6[cH]5[cH]4[c]27CC[NH2]1.[B](F)(F)(F)[F-].O
• Title of publication: Influence of Hydrogen-Bonding Substituents on the Cytotoxicity of RAPTA Compounds
• Authors of publication: Scolaro, Claudine; Geldbach, Tilmann J.; Rochat, Sébastien; Dorcier, Antoine; Gossens, Christian; Bergamo, Alberta; Cocchietto, Moreno; Tavernelli, Ivano; Sava, Gianni; Rothlisberger, Ursula; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 756
• a: 11.1961 ± 0.001 Å
• b: 14.3501 ± 0.0013 Å
• c: 12.3751 ± 0.0011 Å
• α: 90°
• β: 103.432 ± 0.008°
• γ: 90°
• Cell volume: 1933.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No