Information card for entry 1562624

Structure parameters

• Formula: C79 H62 B Cl2 F4 N2 O4 Os P3
• Calculated formula: C79 H62 B Cl2 F4 N2 O4 Os P3
• SMILES: [Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)C=C([P+](c5ccccc5)(c5ccccc5)c5ccccc5)C=C4C=CC1=CC(=CC2=[CH]3c1ccc(N(=O)=O)cc1)c1ccc(N(=O)=O)cc1.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: NIR-responsive metal-containing polymer hydrogel for light-controlled microvalve
• Authors of publication: Lin, Xusheng; Xie, Weiwei; Lin, Qin; Cai, Yuanting; Hua, Yuhui; Lin, Jianfeng; He, Guomei; Chen, Jiangxi
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 3375 - 3382
• a: 13.0037 ± 0.0003 Å
• b: 13.1533 ± 0.0002 Å
• c: 22.7428 ± 0.0004 Å
• α: 99.03 ± 0.001°
• β: 103.602 ± 0.002°
• γ: 101.623 ± 0.002°
• Cell volume: 3617.03 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No