Information card for entry 1512672

Structure parameters

• Formula: C32 H36 Cl2 N4 O4 Ru
• Calculated formula: C32 H36 Cl2 N4 O4 Ru
• SMILES: [Ru]12(Cl)(Cl)([N](c3c(O)ccc(c3)C)=Cc3[n]1cccc3)[N](c1c(O)ccc(c1)C)=Cc1[n]2cccc1.O=C(C)C.O=C(C)C
• Title of publication: Synthesis, crystal structure and biological studies of the highly anticancer active compound trans-dichloridobis(4-methyl-2-N-(2-pyridylmethylene)- aminophenol)ruthenium(II)
• Authors of publication: Sudeshna Roy; Palanisamy Uma Maheswari; Amalija Golobic; Bojan Kozlevcar; Jan Reedijk
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 239 - 245
• a: 8.876 ± 0.0002 Å
• b: 9.0154 ± 0.0002 Å
• c: 10.4403 ± 0.0003 Å
• α: 91.625 ± 0.001°
• β: 107.003 ± 0.001°
• γ: 92.203 ± 0.001°
• Cell volume: 797.65 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No