Information card for entry 1548967

Structure parameters

• Formula: C57 H76 Cl3 P2 Pt
• Calculated formula: C57 H77 Cl3 P2 Pt
• SMILES: [Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)Cl
• 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: 18.7426 ± 0.0009 Å
• b: 13.6265 ± 0.0006 Å
• c: 22.2266 ± 0.001 Å
• α: 90°
• β: 92.9084 ± 0.0015°
• γ: 90°
• Cell volume: 5669.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No