Information card for entry 1575879

Structure parameters

• Chemical name: Mixed MOF
• Formula: C6 H2 K0.99 Li2 N3 O10
• Calculated formula: C6 H2 K0.989 Li2 N3 O10
• 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: 12.1937 ± 0.0002 Å
• b: 12.6249 ± 0.0002 Å
• c: 6.7246 ± 0.0001 Å
• α: 90°
• β: 94.218 ± 0.002°
• γ: 90°
• Cell volume: 1032.41 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0446
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0441
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No