Information card for entry 1568211

Structure parameters

• Formula: C100 H100 F30 Fe Hg10 N20 O20
• Calculated formula: C98 H100 F27 Fe Hg10 N20 O18
• Title of publication: A decacationic ferrocene-based metallostar.
• Authors of publication: Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1132 - 1137
• a: 16.8907 ± 0.0004 Å
• b: 40.5278 ± 0.001 Å
• c: 23.013 ± 0.0005 Å
• α: 90°
• β: 109.001 ± 0.001°
• γ: 90°
• Cell volume: 14895 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No