Information card for entry 7709951

Structure parameters

• Formula: C97 H86.5 Ag2 Au4 Cl2 F12 Fe4 N3.5 P4 Sb2
• Calculated formula: C94 H82 Ag2 Au4 Cl2 F12 Fe4 N2 P4 Sb2
• SMILES: [Au]12[Ag]34[Au]5[P]([c]67[Fe]89%10%11%12%13%14([c]%15%16([Ag]%17([Au]([P]([c]%18%19[cH]%20[Fe]%21%22%23%24%25%26%18([c]%1823[cH]%21[cH]%22[cH]%23[cH]%24%18)[cH]%20[cH]%25[cH]%19%26)(c2ccccc2)c2ccccc2)[c]23%17[Fe]%17%18%19%20%21%22%23([cH]2[cH]%17[cH]%18[cH]3%19)[c]2([cH]%23[cH]%22[cH]%21[cH]%202)[P]1(c1ccccc1)c1ccccc1)[Au]%15[P]([c]12[cH]3[Fe]%15%17%18%19%20%211([c]145[cH]%15[cH]%17[cH]%18[cH]%191)[cH]3[cH]%20[cH]2%21)(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]%10[cH]%11%16)[cH]6[cH]%12[cH]%13[cH]7%14)(c1ccccc1)c1ccccc1.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)(F)(F)[F-].C(CCl)Cl.N#CC.N#CC
• 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: 16.646 ± 0.0008 Å
• b: 18.3325 ± 0.001 Å
• c: 18.4995 ± 0.001 Å
• α: 110.924 ± 0.002°
• β: 110.25 ± 0.002°
• γ: 95.271 ± 0.002°
• Cell volume: 4795.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0166
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No