Information card for entry 1566609

Structure parameters

• Formula: C76.5 Fe N4 O27.5 S2 Si16
• Calculated formula: C76.5 Fe N4 O27.5 S2 Si16
• Title of publication: Chiral Molecular Nanosilicas
• Authors of publication: Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 37.4731 ± 0.0009 Å
• b: 17.2234 ± 0.0003 Å
• c: 42.6209 ± 0.0011 Å
• α: 90°
• β: 103.053 ± 0.003°
• γ: 90°
• Cell volume: 26797.4 ± 1.1 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1897
• Residual factor for significantly intense reflections: 0.1686
• Weighted residual factors for significantly intense reflections: 0.4223
• Weighted residual factors for all reflections included in the refinement: 0.4445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.778
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No