Information card for entry 4129011

Structure parameters

• Chemical name: [(dppp)Pt{CNC6H3(CH=C=CH2)COOMe}Me]Cl-CHCl3
• Formula: C41 H39 Cl4 N O2 P2 Pt
• Calculated formula: C41 H39 Cl4 N O2 P2 Pt
• SMILES: [Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N]c1c(cc(cc1)C(=O)OC)C=C=C)C.[Cl-].ClC(Cl)Cl
• Title of publication: Living Cyclocopolymerization through Alternating Insertion of Isocyanide and Allene via Controlling the Reactivity of the Propagation Species: Detailed Mechanistic Investigation.
• Authors of publication: Kanbayashi, Naoya; Okamura, Taka-Aki; Onitsuka, Kiyotaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15307 - 15317
• a: 13.5872 ± 0.0003 Å
• b: 13.3149 ± 0.0002 Å
• c: 22.6201 ± 0.0004 Å
• α: 90°
• β: 103.353 ± 0.007°
• γ: 90°
• Cell volume: 3981.62 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0321
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0617
• 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