Information card for entry 7127502

Structure parameters

• Formula: C31 H53 Bi Cl3 N P2 Pt
• Calculated formula: C31 H53 Bi Cl3 N P2 Pt
• SMILES: [Bi]12([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c3c(C[N]1(Cc1c2cccc1)C(C)(C)C)cccc3)Cl.ClCCl
• Title of publication: Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt₃)₃ with cyclic organobismuth compounds.
• Authors of publication: Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 96
• Pages of publication: 15216 - 15219
• a: 12.8505 ± 0.0004 Å
• b: 13.1916 ± 0.0004 Å
• c: 21.3892 ± 0.0007 Å
• α: 90°
• β: 94.966 ± 0.0004°
• γ: 90°
• Cell volume: 3612.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No