Information card for entry 7718402

Structure parameters

• Formula: C47 H48 Au B Cl2 F4 Fe2 N6 O2
• Calculated formula: C47 H48 Au B Cl2 F4 Fe2 N6 O2
• Title of publication: Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.
• Authors of publication: Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 6563 - 6575
• a: 11.0442 ± 0.0006 Å
• b: 14.9186 ± 0.0008 Å
• c: 15.3165 ± 0.0009 Å
• α: 92.692 ± 0.002°
• β: 110.774 ± 0.002°
• γ: 92.507 ± 0.002°
• Cell volume: 2352 ± 0.2 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: 0.0164
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No