Information card for entry 7130943

Structure parameters

• Formula: C42 H36 Au B F20 Fe2 O6 P4
• Calculated formula: C42 H36 Au B F20 Fe2 O6 P4
• Title of publication: Gauging the donor strength of iron(0) complexes via their N-heterocyclic carbene gold(I) adducts
• Authors of publication: Toh, Zhi Hao; Tinnermann, Hendrik; Do, Dinh Cao Huan; Huynh, Han Vinh; Kraemer, Tobias; Young, Rowan Drury
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.084 ± 0.0007 Å
• b: 8.3385 ± 0.0003 Å
• c: 19.9778 ± 0.0009 Å
• α: 90°
• β: 109.682 ± 0.002°
• γ: 90°
• Cell volume: 2522.81 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No