Information card for entry 4128712

Structure parameters

• Formula: C38 H34 Cl8 Ga2 P2 Se2
• Calculated formula: C38 H34 Cl8 Ga2 P2 Se2
• SMILES: c1ccccc1[Se][P+](CC[P+](c1ccccc1)(c1ccccc1)[Se]c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Ga](Cl)([Cl-])Cl.Cl[Ga](Cl)([Cl-])Cl
• Title of publication: Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.
• Authors of publication: Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 23
• Pages of publication: 9175 - 9179
• a: 10.113 ± 0.01 Å
• b: 17.305 ± 0.016 Å
• c: 15.793 ± 0.015 Å
• α: 90°
• β: 93.473 ± 0.013°
• γ: 90°
• Cell volume: 2759 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1435
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No