Information card for entry 1575878

Structure parameters

• Chemical name: Li-TNPG
• Formula: C12 H6.8 Li6 N6 O21.4
• Calculated formula: C12 Li6 N6 O18
• Title of publication: Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.
• Authors of publication: Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 21508 - 21517
• a: 3.3844 ± 0.0003 Å
• b: 13.7682 ± 0.0015 Å
• c: 22.793 ± 0.003 Å
• α: 85.45 ± 0.003°
• β: 85.74°
• γ: 82.94°
• Cell volume: 1048.5 ± 0.2 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 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: 0.1033
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No