Information card for entry 7706309

Structure parameters

• Formula: C70 H24 Au Cl0 F33 Fe3 N3 O3 P3 S
• Calculated formula: C70 H24 Au F33 Fe3 N3 O3 P3 S
• SMILES: [Au]1[P](c2c(F)c(F)c(F)c(F)c2F)([c]23[cH]4[Fe]56789%102([cH]([cH]45)[cH]37)[cH]2[cH]8[c]6([cH]9[cH]%102)c2nc(nc(n2)[c]23[Fe]456789%10([cH]%11[cH]%10[cH]5[cH]8[c]7%11[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]2[cH]6[cH]4[cH]39)[c]12[Fe]3456789([cH]([cH]25)[cH]4[cH]13)[cH]1[cH]7[cH]6[cH]8[c]91P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.
• Authors of publication: Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16667 - 16682
• a: 12.6634 ± 0.0009 Å
• b: 15.103 ± 0.0009 Å
• c: 19.1877 ± 0.0012 Å
• α: 93.198 ± 0.005°
• β: 97.777 ± 0.006°
• γ: 103.745 ± 0.006°
• Cell volume: 3517.1 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2352
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No