Information card for entry 1559700

Structure parameters

• Formula: C40 H36 Cl4 N2 Pt
• Calculated formula: C40 H36 Cl4 N2 Pt
• SMILES: [Pt]1([n]2ccc(C(C)(C)C)cc2c2[n]1ccc(C(C)(C)C)c2)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)C(Cl)Cl
• Title of publication: Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation
• Authors of publication: Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 11077 - 11088
• a: 20.3089 ± 0.0008 Å
• b: 14.9227 ± 0.0007 Å
• c: 24.4008 ± 0.001 Å
• α: 90°
• β: 90.684 ± 0.006°
• γ: 90°
• Cell volume: 7394.5 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0547
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0536
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No