Information card for entry 1548734

Structure parameters

• Formula: C98 H76 Cl12 P4 Pt2
• Calculated formula: C98 H76 Cl12 P4 Pt2
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)CCC[P]([Pt]([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers
• Authors of publication: Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 815
• a: 33.1071 ± 0.0012 Å
• b: 15.2483 ± 0.0005 Å
• c: 22.7605 ± 0.0007 Å
• α: 90°
• β: 125.449 ± 0.0009°
• γ: 90°
• Cell volume: 9360.3 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No