Information card for entry 4117467

Structure parameters

• Formula: C96 H126 Ag14 Cl2
• Calculated formula: C96 H126 Ag14 Cl2
• SMILES: C1(CCCCC1)C#[C]12[Ag]3[C]4([Ag]5[C]6([Ag]7[C]8(#CC9CCCCC9)[Ag]([C]3([Ag]6)#CC3CCCCC3)[C]([Ag]2)([Ag]2[C]3([Ag]1[C]([Ag]1[C](#CC6CCCCC6)([Ag]([C]7([Ag][C]51#CC1CCCCC1)#CC1CCCCC1)[C]2([Ag]8)#CC1CCCCC1)[Ag]3)([Ag]4)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1.[Cl-].[Cl-]
• Title of publication: Enlargement of Globular Silver Alkynide Cluster via Core Transformation
• Authors of publication: Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2922 - 2925
• a: 24.4626 ± 0.0014 Å
• b: 24.4626 ± 0.0014 Å
• c: 14.0339 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7273 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No