Information card for entry 7705135

Structure parameters

• Formula: C33 H29 Au N3 P
• Calculated formula: C33 H29 Au N3 P
• SMILES: [Au](C#CCN(Cc1ncccc1)Cc1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.
• Authors of publication: Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11736 - 11742
• a: 18.2164 ± 0.0017 Å
• b: 8.9192 ± 0.0008 Å
• c: 17.6329 ± 0.0017 Å
• α: 90°
• β: 107.905 ± 0.001°
• γ: 90°
• Cell volume: 2726.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No