Information card for entry 7013288

Structure parameters

• Formula: C57 H98 N4 O7 Pt S2
• Calculated formula: C53 H90 N4 O5 Pt S2
• Title of publication: Synthesis, structure and properties of [Pt(2,2?-bipyridyl-5,5?-dicarboxylic acid)(3,4-toluenedithiolate)]: tuning molecular properties for application in dye-sensitised solar cells
• Authors of publication: Geary, Elaine A. M.; Hirata, Narukuni; Clifford, John; Durrant, James R.; Parsons, Simon; Dawson, Alice; Yellowlees, Lesley J.; Robertson, Neil
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3757
• a: 16.4091 ± 0.0007 Å
• b: 14.4709 ± 0.0006 Å
• c: 27.5157 ± 0.0012 Å
• α: 90°
• β: 105.548 ± 0.001°
• γ: 90°
• Cell volume: 6294.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No