Information card for entry 7705898

Structure parameters

• Formula: C7 H8 N4
• Calculated formula: C7 H8 N4
• SMILES: [nH]1ncc(c1)Cc1c[nH]nc1
• Title of publication: Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.
• Authors of publication: Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 17005 - 17016
• a: 5.3811 ± 0.0002 Å
• b: 16.1944 ± 0.0006 Å
• c: 8.2691 ± 0.0004 Å
• α: 90°
• β: 98.5 ± 0.002°
• γ: 90°
• Cell volume: 712.68 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No