Information card for entry 1548736

Structure parameters

• Formula: C48 H36 Cl4 P2 Pt
• Calculated formula: C48 H36 Cl4 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)C(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: 15.4548 ± 0.0005 Å
• b: 13.1059 ± 0.0004 Å
• c: 21.7612 ± 0.0006 Å
• α: 90°
• β: 92.1109 ± 0.001°
• γ: 90°
• Cell volume: 4404.7 ± 0.2 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: 0.0392
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No