Information card for entry 1566608

Structure parameters

• Formula: C92 H182 Fe N4 O32 Si16
• Calculated formula: C92 H182 Fe N4 O32 Si16
• SMILES: [Fe]12345678([c]9(C(=O)N[C@H](C(=O)NCCC[Si]%10%11O[Si]%12(O[Si]%13(O[Si]%14(O[Si](O[Si](O%10)(O[Si](O%12)(O%14)CC(C)C)CC(C)C)(O[Si](O%13)(O%11)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1(C(=O)N[C@H](C(=O)NCCC[Si]23O[Si]4(O[Si]9(O[Si]%10(O[Si](O[Si](O2)(O[Si](O4)(O%10)CC(C)C)CC(C)C)(O[Si](O9)(O3)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)C(C)C)[cH]5[cH]6[cH]7[cH]81.O1CCOCC1.O1CCOCC1
• 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: 16.9205 ± 0.0005 Å
• b: 17.5657 ± 0.0005 Å
• c: 21.7093 ± 0.0005 Å
• α: 90°
• β: 90.98 ± 0.002°
• γ: 90°
• Cell volume: 6451.5 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No