Information card for entry 7018859

Structure parameters

• Formula: C7 H5 N4 Tl
• Calculated formula: C7 H5 N4 Tl
• SMILES: c1(c2ccccc2)n[n-]nn1.[Tl+]
• Title of publication: Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles
• Authors of publication: Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5848
• a: 32.979 ± 0.002 Å
• b: 3.8845 ± 0.0002 Å
• c: 12.5892 ± 0.0008 Å
• α: 90°
• β: 100.331 ± 0.004°
• γ: 90°
• Cell volume: 1586.62 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No