Information card for entry 1548968

Structure parameters

• Formula: C62 H54 N2 O2 P2 Pt
• Calculated formula: C62 H54 N2 O2 P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.O=CN(C)C.O=CN(C)C
• Title of publication: Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers
• Authors of publication: Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 1772
• a: 9.5747 ± 0.0003 Å
• b: 10.0025 ± 0.0003 Å
• c: 14.5919 ± 0.0004 Å
• α: 75.3868 ± 0.0007°
• β: 73.7957 ± 0.0008°
• γ: 81.3096 ± 0.0009°
• Cell volume: 1293.65 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No