Information card for entry 4300945

Structure parameters

• Formula: C22 H19 N5 O4 Pt S2
• Calculated formula: C22 H19 N5 O4 Pt S2
• SMILES: [Pt]12(SC(=C(S1)C#N)C#N)[n]1cccc(c1c1c(ccc[n]21)C(=O)OCC)C(=O)OCC.C(#N)C
• Title of publication: Synthesis, Structure, and Properties of [Pt(II)(diimine)(dithiolate)] Dyes with 3,3'-, 4,4'-, and 5,5'-Disubstituted Bipyridyl: Applications in Dye-Sensitized Solar Cells
• Authors of publication: Geary, Elaine A. M.; Yellowlees, Lesley J.; Jack, Lorna A.; Oswald, Iain D. H.; Parsons, Simon; Hirata, Narukuni; Durrant, James R.; Robertson, Neil
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 242 - 250
• a: 14.7735 ± 0.0015 Å
• b: 21.632 ± 0.002 Å
• c: 7.545 ± 0.0007 Å
• α: 90°
• β: 100.815 ± 0.004°
• γ: 90°
• Cell volume: 2368.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Duplicate of: 4308380
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No