Information card for entry 7054436

Structure parameters

• Formula: C17 H25 Cd N3 S4
• Calculated formula: C17 H25 Cd N3 S4
• SMILES: C1(N2CCCCC2)=[S][Cd]2([n]3ccccc3)(S1)[S]=C(N1CCCCC1)S2
• Title of publication: Bis(piperidinedithiocarbamato)pyridinecadmium(ii) as a single-source precursor for the synthesis of CdS nanoparticles and aerosol-assisted chemical vapour deposition (AACVD) of CdS thin films
• Authors of publication: Mlowe, Sixberth; Lewis, David J.; Azad Malik, M.; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 6073
• a: 8.8114 ± 0.0004 Å
• b: 9.8021 ± 0.0005 Å
• c: 24.4201 ± 0.0011 Å
• α: 90°
• β: 95.928 ± 0.002°
• γ: 90°
• Cell volume: 2097.89 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.529
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No