Information card for entry 7002241

Structure parameters

• Formula: C18 H27 Au Cl3 N6 P Zn
• Calculated formula: C18 H27 Au Cl3 N6 P Zn
• SMILES: c12c[nH]c(C(C)C)[n]1[Zn]1(Cl)[n]3c(c[nH]c3C(C)C)[P]2(c2c[nH]c(C(C)C)[n]12)[Au]Cl.[Cl-]
• Title of publication: Imidazole-based phosphane gold(I) complexes as potential agents for cancer treatment: Synthesis, structural studies and antitumour activity
• Authors of publication: Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Spingler, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7741 - 7747
• a: 15.769 ± 0.008 Å
• b: 11.527 ± 0.005 Å
• c: 20.734 ± 0.009 Å
• α: 90°
• β: 103.73 ± 0.04°
• γ: 90°
• Cell volume: 3661 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.088
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No