Information card for entry 1570493

Structure parameters

• Formula: C120 H84 Fe12 In12 O60
• Calculated formula: C120 H84 Fe12 In12 O60
• Title of publication: Aggregate assembly of ferrocene functionalized indium-oxo clusters.
• Authors of publication: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 726 - 735
• a: 15.4037 ± 0.0002 Å
• b: 20.7536 ± 0.0003 Å
• c: 25.173 ± 0.0003 Å
• α: 90°
• β: 93.511 ± 0.001°
• γ: 90°
• Cell volume: 8032.26 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.2289
• Residual factor for significantly intense reflections: 0.212
• Weighted residual factors for significantly intense reflections: 0.5627
• Weighted residual factors for all reflections included in the refinement: 0.5776
• Goodness-of-fit parameter for all reflections included in the refinement: 2.714
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No