Information card for entry 7033419

Structure parameters

• Formula: C78 H50 Ag8 F30 N8 O12
• Calculated formula: C78 H50 Ag8 F30 N8 O12
• SMILES: [C]12(#CC(C)(C)C)[Ag]345[Ag]6([Ag]71([n]1c8c(ccc9ccc[n]7c89)ccc1)[Ag]1([n]7cccc8c7c7[n]1cccc7cc8)[O]=C(C(C(F)(F)F)(F)F)O3)([O]=C(C(C(F)(F)F)(F)F)O4)(OC(C(C(F)(F)F)(F)F)=[O]5)[C]1(#CC(C)(C)C)[Ag]345[Ag]26([Ag]21([n]1cccc6c1c1[n]2cccc1cc6)[Ag]1([n]2cccc6c2c2[n]1cccc2cc6)[O]=C(C(C(F)(F)F)(F)F)O3)([O]=C(C(C(F)(F)F)(F)F)O4)OC(C(C(F)(F)F)(F)F)=[O]5
• Title of publication: Assembly of silver alkynyl compounds with various nuclearities.
• Authors of publication: Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2439 - 2446
• a: 23.2589 ± 0.0008 Å
• b: 15.9256 ± 0.0004 Å
• c: 25.5945 ± 0.0009 Å
• α: 90°
• β: 111.372 ± 0.003°
• γ: 90°
• Cell volume: 8828.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No