Information card for entry 7058516

Structure parameters

• Formula: C49 H66 Au2 F12 Fe2 N2 O P2 Sb2
• Calculated formula: C49 H66 Au2 F12 Fe2 N2 O P2 Sb2
• Title of publication: Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands
• Authors of publication: Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11258
• a: 11.5339 ± 0.0013 Å
• b: 12.0079 ± 0.0014 Å
• c: 39.793 ± 0.005 Å
• α: 87.71 ± 0.004°
• β: 85 ± 0.004°
• γ: 86.529 ± 0.004°
• Cell volume: 5476.9 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No