Information card for entry 2218867

Structure parameters

• Common name: Bis(μ-<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato)- 1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';1:2κ^3^<i>S</i>:<i>S</i>,<i>S</i>'- bis[bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')thallium(III)]
• Formula: C54 H60 N6 S12 Tl2
• Calculated formula: C54 H60 N6 S12 Tl2
• SMILES: C(=S)(N(Cc1ccccc1)C)S[Tl]1([S]=C(N(Cc2ccccc2)C)S1)SC(=S)N(Cc1ccccc1)C
• Title of publication: Bis(μ-<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato)-1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';1:2κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')thallium(III)]
• Authors of publication: Rizzoli, Corrado; Ramalingam, Kuppukkannu; Alexander, Nagarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1020 - m1021
• a: 13.3326 ± 0.0009 Å
• b: 9.928 ± 0.0006 Å
• c: 24.1379 ± 0.0016 Å
• α: 90°
• β: 98.539 ± 0.002°
• γ: 90°
• Cell volume: 3159.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes