Information card for entry 4300978

Structure parameters

• Formula: C58 H50 N4 O Pt
• Calculated formula: C58 H50 N4 O Pt
• SMILES: [Pt]1([n]2c3c4[n]1ccc(c4ccc3c(cc2)c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)CNc1ccccc1)C#Cc1ccc(cc1)CNc1ccccc1.O(CC)CC
• 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: 10.5336 ± 0.0013 Å
• b: 11.6625 ± 0.0015 Å
• c: 19.425 ± 0.002 Å
• α: 98.245 ± 0.002°
• β: 90.598 ± 0.002°
• γ: 105.602 ± 0.002°
• Cell volume: 2271.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No