Information card for entry 4349139

Structure parameters

• Formula: C48 H35 N5 Pt
• Calculated formula: C48 H35 N5 Pt
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)c1c[n]2c(cc1)c1cn(Cc3ccccc3)n[n]1[Pt]2(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.
• Authors of publication: Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12238 - 12253
• a: 14.9463 ± 0.0005 Å
• b: 37.5453 ± 0.0013 Å
• c: 13.5608 ± 0.0004 Å
• α: 90°
• β: 91.439 ± 0.003°
• γ: 90°
• Cell volume: 7607.4 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.1425
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No