Information card for entry 1570492

Structure parameters

• Formula: C92 H96 Fe6 In13 N6 O46
• Calculated formula: C92 H96 Fe6 In13 N6 O46
• 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: 27.37206 ± 0.00019 Å
• b: 15.00755 ± 0.00012 Å
• c: 31.8968 ± 0.0003 Å
• α: 90°
• β: 94.0511 ± 0.0007°
• γ: 90°
• Cell volume: 13070.1 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No