Information card for entry 7047651

Structure parameters

• Chemical name: {4-Ferrocenyl-1,3-di(2,6-diprop-2-ylphenyl)-3H-[1,2,3]triazol-5-ium}-triphenylphosphinyl-gold hexaflurophosphate deutero-tricloromethane solvate
• Formula: C55 H58 Au Cl3 D F6 Fe N3 P2
• Calculated formula: C55 H58 Au Cl3 D F6 Fe N3 P2
• Title of publication: Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.
• Authors of publication: Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16072 - 16081
• a: 17.8411 ± 0.0008 Å
• b: 11.8539 ± 0.0006 Å
• c: 26.3035 ± 0.0013 Å
• α: 90°
• β: 97.359 ± 0.002°
• γ: 90°
• Cell volume: 5517 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No