Information card for entry 7709952

Structure parameters

• Formula: C91 H78 Au4 B2 Cl6 Cu4 F8 Fe4 O P4
• Calculated formula: C91 H78 Au4 B2 Cl6 Cu4 F8 Fe4 O P4
• SMILES: [O]12([Cu]345[Au]6[c]785[Fe]59%10%11%12%13%144([cH]7[cH]5[cH]9[cH]8%10)[c]4([cH]%14[cH]%13[cH]%12[cH]%114)[P]([Au]4[Cu]513[Fe]13789%10%11%12([c]%1345[cH]1[cH]3[cH]7[cH]8%13)[c]1([cH]9[cH]%10[cH]%11[cH]%121)[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Cu]134[Au]5[c]674[Fe]489%10%11%12%133([cH]6[cH]4[cH]8[cH]79)[c]3([P]([Au]4[Cu]621[Fe]12789%14%15%16([c]%1746[cH]1[cH]2[cH]7[cH]8%17)[c]1([cH]%16[cH]%15[cH]%14[cH]91)[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]%10[cH]%11[cH]%12[cH]%133.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 19.446 ± 0.0007 Å
• b: 17.9881 ± 0.0006 Å
• c: 26.4218 ± 0.0009 Å
• α: 90°
• β: 103.181 ± 0.001°
• γ: 90°
• Cell volume: 8998.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 10
• 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: 0.0189
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No