Information card for entry 1565556

Structure parameters

• Formula: C30 H28 Cd2 Cl2 N6 S4
• Calculated formula: C30 H28 Cd2 Cl2 N6 S4
• SMILES: c1cccc2C(C)=[N]3[Cd]4([n]12)(SC(=N3)SCc1ccccc1)[Cl][Cd]12([n]3ccccc3C(C)=[N]1N=C(S2)SCc1ccccc1)[Cl]4
• 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: 9.1658 ± 0.0005 Å
• b: 9.2721 ± 0.0005 Å
• c: 10.7922 ± 0.0006 Å
• α: 72.562 ± 0.002°
• β: 74.696 ± 0.002°
• γ: 72.819 ± 0.002°
• Cell volume: 820.36 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No