Information card for entry 7043682

Structure parameters

• Formula: C52 H48 Au2 F12 Fe2 N2 O2 P2 Sb2
• Calculated formula: C52 H48 Au2 F12 Fe2 N2 O2 P2 Sb2
• SMILES: [N]1[c]23[cH]4[cH]5[Fe]6789%1034([cH]2[cH]5%10)[c]2([P]([Au]C#[N][c]34[cH]5[cH]%10[cH]%11[cH]3[Fe]3%12%13%1445%10%11[c]4([P]([Au]C#1)(c1ccccc1)c1ccccc1)[cH]3[cH]%12[cH]%13[cH]%144)(c1ccccc1)c1ccccc1)[cH]6[cH]7[cH]8[cH]92.[F-][Sb](F)(F)(F)(F)F.C(=O)(C)C.[F-][Sb](F)(F)(F)(F)F.C(=O)(C)C
• Title of publication: Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes
• Authors of publication: Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.848 ± 0.0003 Å
• b: 14.2781 ± 0.0009 Å
• c: 22.2571 ± 0.001 Å
• α: 90°
• β: 98.7946 ± 0.0018°
• γ: 90°
• Cell volume: 2778.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No