Information card for entry 7118616

Structure parameters

• Formula: C62 H72 Au Cl3 N2 O4 P2 Ru
• Calculated formula: C62 H72 Au Cl3 N2 O4 P2 Ru
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C[P]([Ru]12345(Cl)(Cl)[CH]6[cH]1[c]2([cH]3[cH]4[c]56C(C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O
• 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: 21.2 ± 0.004 Å
• b: 14.09 ± 0.003 Å
• c: 22.972 ± 0.005 Å
• α: 90°
• β: 93.02 ± 0.03°
• γ: 90°
• Cell volume: 6852 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No