Information card for entry 7054422

Structure parameters

• Formula: C16 H28 N2 Pd S4
• Calculated formula: C16 H28 N2 Pd S4
• SMILES: [Pd]12([S]=C(N(C)C3CCCCC3)S1)[S]=C(N(C)C1CCCCC1)S2
• Title of publication: Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives
• Authors of publication: Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 9
• Pages of publication: 4083
• a: 9.9199 ± 0.0007 Å
• b: 11.0292 ± 0.0007 Å
• c: 10.1444 ± 0.0007 Å
• α: 90°
• β: 114.696 ± 0.001°
• γ: 90°
• Cell volume: 1008.37 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054232
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No