Information card for entry 7118615

Structure parameters

• Formula: C57 H62 Au Cl5 N2 O4 P2 Ru
• Calculated formula: C57 H62 Au Cl5 N2 O4 P2 Ru
• SMILES: [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[P](C[P]([Ru]12345(Cl)(Cl)[cH]6[c]1([cH]2[cH]3[c]4([cH]56)C(C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.ClCCl
• Title of publication: Versatile synthesis of cationic N-heterocyclic carbene-gold(i) complexes containing a second ancillary ligand. Design of heterobimetallic ruthenium-gold anticancer agents.
• Authors of publication: Fernández-Gallardo, Jacob; Elie, Benelita T.; Sanaú, Mercedes; Contel, María
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3155 - 3158
• a: 14.385 ± 0.003 Å
• b: 25.076 ± 0.005 Å
• c: 17.318 ± 0.004 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 5973 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.107
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No