Information card for entry 1575880

Structure parameters

• Chemical name: Na-TNPG
• Formula: C6 H4 N3 Na3.05 O11
• Calculated formula: C6 H4 N3 Na3.05 O11
• 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: 13.5292 ± 0.0013 Å
• b: 25.354 ± 0.002 Å
• c: 3.386 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1161.46 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No