Information card for entry 4308989

Structure parameters

• Formula: C4 H6 N4 Na O3 Tl
• Calculated formula: C4 N4 Na O3 Tl
• SMILES: [Tl](C#N)(C#N)(C#N)C#N.[Na+].O.O.O
• Title of publication: Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4
• Authors of publication: Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2347 - 2357
• a: 10.6136 ± 0.0011 Å
• b: 10.7203 ± 0.0014 Å
• c: 19.161 ± 0.002 Å
• α: 90°
• β: 96.96 ± 0.02°
• γ: 90°
• Cell volume: 2164.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No