Information card for entry 2010817

Structure parameters

• Chemical name: Bis(aniline)dithiocyanatocadmium(II)
• Formula: C14 H14 Cd N4 S2
• Calculated formula: C14 H14 Cd N4 S2
• SMILES: [Cd]1(SC#[N][Cd](SC#[N]1)([NH2]c1ccccc1)[NH2]c1ccccc1)(SC#N)(N=C=S)([NH2]c1ccccc1)[NH2]c1ccccc1
• Title of publication: One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)
• Authors of publication: Moon, Hyoung-Sil; Kim, Chong-Hyeak; Lee, Sueg-Geun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 425 - 426
• a: 11.1132 ± 0.0013 Å
• b: 5.8547 ± 0.0006 Å
• c: 13.1706 ± 0.0013 Å
• α: 90°
• β: 100.466 ± 0.009°
• γ: 90°
• Cell volume: 842.68 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes