Information card for entry 7709946

Structure parameters

• Formula: C45 H37 Au2 Cl3 Fe2 P2
• Calculated formula: C45 H37 Au2 Cl3 Fe2 P2
• SMILES: [Au]1[P]([c]23[Fe]456789%10([c]%11([cH]4[cH]5[cH]6[cH]7%11)[Au][P]([c]45[Fe]67%11%12%13%14%15([c]%161[cH]%12[cH]%11[cH]7[cH]6%16)[cH]4[cH]%13[cH]%14[cH]5%15)(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.C(Cl)(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: 10.1146 ± 0.0002 Å
• b: 18.5309 ± 0.0004 Å
• c: 22.2454 ± 0.0004 Å
• α: 90°
• β: 98.335 ± 0.001°
• γ: 90°
• Cell volume: 4125.47 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No