Information card for entry 7127721

Structure parameters

• Common name: 3 in manuscript
• Formula: C21 H13 Au N P S2
• Calculated formula: C21 H13 Au N P S2
• Title of publication: Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.
• Authors of publication: Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 93
• Pages of publication: 14593 - 14596
• a: 12.7527 ± 0.0003 Å
• b: 18.7996 ± 0.0004 Å
• c: 16.53 ± 0.0004 Å
• α: 90°
• β: 108.271 ± 0.0007°
• γ: 90°
• Cell volume: 3763.2 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No