Information card for entry 4300974

Structure parameters

• Formula: C42 H26 N2 O2 Pt
• Calculated formula: C42 H26 N2 O2 Pt
• SMILES: [Pt]1([n]2ccc(c3ccc4c(cc[n]1c4c23)c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C=O)C#Cc1ccc(cc1)C=O
• 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: 9.4406 ± 0.0004 Å
• b: 11.6495 ± 0.0005 Å
• c: 14.6801 ± 0.0007 Å
• α: 101.06 ± 0.001°
• β: 95.93 ± 0.001°
• γ: 95.458 ± 0.001°
• Cell volume: 1565.06 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No