Information card for entry 1565555

Structure parameters

• Formula: C18 H20 Cd N6 S4
• Calculated formula: C18 H20 Cd N6 S4
• SMILES: [Cd]1234(SC(=N[N]2=C(c2[n]1cccc2)C)SC)SC(SC)=N[N]4=C(c1[n]3cccc1)C
• Title of publication: Monomeric and dimeric cadmium(II) complexes of S-alkyl/aryl dithiocarbazate as single-source precursors for cadmium sulfide nanoparticles: An experimental, theoretical interpretation in the stability of precursor and visible light dye degradation study
• Authors of publication: Santra, Ananyakumari; Brandao, Paula; Mondal, Gopinath; Bera, Pradip; Jana, Abhimanyu; Bhattacharyya, Indranil; Pramanik, Chandana; Bera, Pulakesh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119315
• a: 7.6582 ± 0.0004 Å
• b: 10.6878 ± 0.0005 Å
• c: 13.9776 ± 0.0006 Å
• α: 99.199 ± 0.002°
• β: 95.857 ± 0.002°
• γ: 97.625 ± 0.002°
• Cell volume: 1110.44 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No