Information card for entry 7130860

Structure parameters

• Formula: C18 H27 Cl6 N6 O6 Sb
• Calculated formula: C18 H27 Cl6 N6 O6 Sb
• SMILES: [Sb](Cl)([Cl-])([Cl-])(Cl)Cl.[Cl-].O=C(O)C[n+]1cn(cc1)C.OC(=O)Cn1cc[n+](c1)C.OC(=O)Cn1cc[n+](c1)C
• Title of publication: Manipulating the inorganic motif by kinetic control of organic-inorganic antimony halide for larger Stokes shift and significantly enhanced quantum efficiency
• Authors of publication: Lin, Fang; Tong, Hua; Lin, Haoran; Liu, Wei
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.8758 ± 0.0006 Å
• b: 8.7858 ± 0.0002 Å
• c: 17.7065 ± 0.0004 Å
• α: 90°
• β: 114.926 ± 0.001°
• γ: 90°
• Cell volume: 2945.06 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No