Information card for entry 4300975

Structure parameters

• Formula: C58 H46 N6 Pt
• Calculated formula: C58 H46 N6 Pt
• SMILES: c1cc(c2c3[n]1[Pt]([n]1ccc(c(c31)cc2)c1ccccc1)(C#Cc1ccc(cc1)/C=N/c1ccc(N(C)C)cc1)C#Cc1ccc(cc1)/C=N/c1ccc(N(C)C)cc1)c1ccccc1
• Title of publication: Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads
• Authors of publication: Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2628 - 2638
• a: 30.1689 ± 0.0018 Å
• b: 15.5466 ± 0.0008 Å
• c: 9.7179 ± 0.0005 Å
• α: 90°
• β: 91.356 ± 0.002°
• γ: 90°
• Cell volume: 4556.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No