Information card for entry 4300976

Structure parameters

• Formula: C56 H40 N4 O2 Pt
• Calculated formula: C56 H40 N4 O2 Pt
• SMILES: [Pt]1([n]2ccc(c3ccc4c(cc[n]1c4c23)c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)/C=N/c1ccc(OC)cc1)C#Cc1ccc(cc1)/C=N/c1ccc(OC)cc1
• 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: 19.4441 ± 0.001 Å
• b: 16.3369 ± 0.0009 Å
• c: 15.2547 ± 0.0008 Å
• α: 90°
• β: 108.609 ± 0.001°
• γ: 90°
• Cell volume: 4592.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No