Information card for entry 2242035

Structure parameters

• Chemical name: Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]
• Formula: C32 H32 Cd2 N4 S8
• Calculated formula: C32 H32 Cd2 N4 S8
• SMILES: C1(N(C)c2ccccc2)=[S][Cd]23([S]=C([S]2[Cd]24([S]=C(N(C)c5ccccc5)[S]32)[S]=C(N(C)c2ccccc2)S4)N(C)c2ccccc2)S1
• Title of publication: Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]: crystal structure and Hirshfeld surface analysis
• Authors of publication: Suwardi, Siti Aisyah Nabilah; Lee, See Mun; Lo, Kong Mun; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 429 - 433
• a: 12.7972 ± 0.0006 Å
• b: 6.4445 ± 0.0003 Å
• c: 22.582 ± 0.001 Å
• α: 90°
• β: 98.247 ± 0.004°
• γ: 90°
• Cell volume: 1843.11 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes