Information card for entry 7054419

Structure parameters

• Formula: C35 H33 N3 Pd S4
• Calculated formula: C35 H33 N3 Pd S4
• SMILES: S1[Pd]2([S]=C1N(Cc1ccccc1)Cc1ccccc1)[S]=C(N(Cc1ccccc1)Cc1ccccc1)S2.c1ncccc1
• 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: 20.803 ± 0.003 Å
• b: 6.3637 ± 0.0008 Å
• c: 25.24 ± 0.003 Å
• α: 90°
• β: 99.136 ± 0.002°
• γ: 90°
• Cell volume: 3299 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054229
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No