Information card for entry 7135464

Structure parameters

• Formula: C66 H71 N11 O16 S4
• Calculated formula: C66.001 H63.732 N11 O16.001 S4
• Title of publication: Solvent-induced structural transformation in luminescence-enhanced polymorphic ionic HOFs.
• Authors of publication: Yang, Yi; Zhou, Bin; Dai, Yu-Ying; Cao, Li-Hui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 20
• Pages of publication: 5691 - 5695
• a: 13.6618 ± 0.0003 Å
• b: 14.754 ± 0.0003 Å
• c: 19.1796 ± 0.0005 Å
• α: 72.997 ± 0.002°
• β: 71.086 ± 0.002°
• γ: 88.933 ± 0.002°
• Cell volume: 3484.94 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No