Information card for entry 7018857

Structure parameters

• Common name: 56
• Formula: C4 H2 N4 Tl
• Calculated formula: C4 H2 N4 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: 24.957 ± 0.0006 Å
• b: 3.8807 ± 0.0001 Å
• c: 12.6821 ± 0.0003 Å
• α: 90°
• β: 117.814 ± 0.001°
• γ: 90°
• Cell volume: 1086.36 ± 0.05 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: 0.0222
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No