Information card for entry 4345889

Structure parameters

• Formula: C19 H32 Cl2 N3 P Ru
• Calculated formula: C19 H32 Cl2 N3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]67CN8CCN(C7)CCN(C6)CC8)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: New Class of Half-Sandwich Ruthenium(II) Arene Complexes Bearing the Water-Soluble CAP Ligand as an in Vitro Anticancer Agent.
• Authors of publication: Guerriero, Antonella; Oberhauser, Werner; Riedel, Tina; Peruzzini, Maurizio; Dyson, Paul J.; Gonsalvi, Luca
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5514 - 5518
• a: 11.9064 ± 0.0002 Å
• b: 7.0859 ± 0.0001 Å
• c: 24.8955 ± 0.0004 Å
• α: 90°
• β: 95.6171 ± 0.0016°
• γ: 90°
• Cell volume: 2090.29 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No