Information card for entry 1550360

Structure parameters

• Formula: C77 H76 B Cl6 F4 O2 Os P3
• Calculated formula: C77 H76 B Cl6 F4 O2 Os P3
• SMILES: [Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)C(C=CC2=CC(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=CC(=CC3=[CH]4CCCCO)CCCCO.ClCCl.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: “Carbolong” polymers with near infrared triggered, spatially resolved and rapid self-healing properties
• Authors of publication: Zhang, Huan; Zhao, Haibo; Zhuo, Kaiyue; Hua, Yuhui; Chen, Jiangxi; He, Xumin; Weng, Wengui; Xia, Haiping
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 386
• a: 12.1981 ± 0.0001 Å
• b: 26.7517 ± 0.0001 Å
• c: 21.8243 ± 0.0001 Å
• α: 90°
• β: 98.026 ± 0.001°
• γ: 90°
• Cell volume: 7051.95 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No