Information card for entry 1546068

Structure parameters

• Formula: C109 H90 B Cl6 O Os P3
• Calculated formula: C109 H90 B Cl6 O Os P3
• SMILES: [Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)C(C=C(C=C4C=CC1=CC(=C3)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C#C)=[CH]2c1ccc(cc1)C(=O)C.c1([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Amphipathic Metal-Containing Macromolecules with Photothermal Properties
• Authors of publication: He, Xumin; He, Xiehua; Li, Shenyan; Zhuo, Kaiyue; Qin, Weixiang; Dong, Shuyu; Chen, Jiangxi; Ren, Lei; Liu, Gang; Xia, Haiping
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 13.8163 ± 0.0005 Å
• b: 18.0472 ± 0.0005 Å
• c: 18.3229 ± 0.0006 Å
• α: 79.946 ± 0.003°
• β: 89.601 ± 0.003°
• γ: 82.37 ± 0.003°
• Cell volume: 4458.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No