Information card for entry 4514088

Structure parameters

• Formula: C33 H28 Au F6 N3 P2 S
• Calculated formula: C33 H28 Au F6 N3 P2 S
• SMILES: [Au]([S]=C(N=C1c2ccccc2Nc2ccccc12)NC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry.
• Authors of publication: Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José
• Journal of publication: ACS chemical biology
• Year of publication: 2017
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1524 - 1537
• a: 9.5075 ± 0.0004 Å
• b: 10.8348 ± 0.0005 Å
• c: 16.6081 ± 0.0007 Å
• α: 106.325 ± 0.0005°
• β: 95.4554 ± 0.0005°
• γ: 92.1864 ± 0.0005°
• Cell volume: 1630.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No