Information card for entry 7053961

Structure parameters

• Formula: C14 H23 N3 O2 Pd S3
• Calculated formula: C14 H23 N3 O2 Pd S3
• SMILES: [Pd]12(SC(=N/S(=O)(=O)c3ccc(cc3)C)/S1)[N](CC[N]2(C)C)(C)C
• Title of publication: Light harvesting properties of some new heteroleptic dithiocarbimate‒diamine/diimine complexes of Ni, Pd and Pt studied as photosensitizer in dye-sensitized TiO2 solar cells
• Authors of publication: Diwan, Kiran; Chauhan, Ratna; Singh, Santosh K.; Singh, Bandana; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 97
• a: 12.4574 ± 0.0013 Å
• b: 15.641 ± 0.0015 Å
• c: 9.7801 ± 0.001 Å
• α: 90°
• β: 94.84 ± 0.01°
• γ: 90°
• Cell volume: 1898.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1595
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2635
• Weighted residual factors for all reflections included in the refinement: 0.3099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No