Information card for entry 7126869

Structure parameters

• Formula: C36 H85 Ag3 Cu4 O12 P6 S12
• Calculated formula: C36 H85 Ag3 Cu4 O12 P6 S12
• SMILES: [Ag]12[S]3[Cu]45[CuH]6789[Cu]%10([S]([Ag]%11[S]=P(OC(C)C)(OC(C)C)[S]%12[Ag]([S]=P3(OC(C)C)OC(C)C)[S]5=P(OC(C)C)(OC(C)C)[S]8[Cu]6%12[S]%11=P(OC(C)C)(OC(C)C)[S]9%10)P(OC(C)C)(OC(C)C)=[S]1)[S]2=P(OC(C)C)(OC(C)C)[S]47
• Title of publication: Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.
• Authors of publication: Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 65
• Pages of publication: 9300 - 9303
• a: 13.1365 ± 0.0003 Å
• b: 23.3343 ± 0.0005 Å
• c: 22.8775 ± 0.0005 Å
• α: 90°
• β: 98.1499 ± 0.0005°
• γ: 90°
• Cell volume: 6941.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No