Information card for entry 1576599

Structure parameters

• Formula: C10.01 H12.01 F2 Li N5 O4 S2
• Calculated formula: C10 H12 F2 Li N5 O4 S2
• Title of publication: Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.
• Authors of publication: Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 3669 - 3674
• a: 12.8522 ± 0.0006 Å
• b: 12.8465 ± 0.0006 Å
• c: 5.2547 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 867.58 ± 0.08 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No