Information card for entry 7709953

Structure parameters

• Formula: C94 H83 Au6 Cl10 Fe4 N O8 P4
• Calculated formula: C88 H72 Au6 Cl2 Fe4 O8 P4
• SMILES: [Au]12[Au]34[Au]5[c]674[Fe]489%10%11%12%13([cH]6[cH]4[cH]8[cH]79)[c]4([cH]%10[cH]%11[cH]%12[cH]%134)[P]([Au]4[Au]6([Au]([P]([c]78[cH]9[Fe]%10%11%12%13%14%157([c]713[cH]%10[cH]%11[cH]%12[cH]%137)[cH]8[cH]%14[cH]9%15)(c1ccccc1)c1ccccc1)[c]136[Fe]6789%10%11%12([cH]1[cH]6[cH]7[cH]38)[c]1([cH]%12[cH]%11[cH]%10[cH]91)[P]2(c1ccccc1)c1ccccc1)[c]124[Fe]346789%10([cH]1[cH]3[cH]4[cH]26)[c]1([P]5(c2ccccc2)c2ccccc2)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.
• Authors of publication: Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 13.2872 ± 0.0007 Å
• b: 22.7547 ± 0.0013 Å
• c: 33.741 ± 0.002 Å
• α: 90°
• β: 96.291 ± 0.002°
• γ: 90°
• Cell volume: 10140 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No