Information card for entry 7044370

Structure parameters

• Formula: C214 H210 Ag8 Cl6 O10 P8
• Calculated formula: C214 H210 Ag8 Cl6 O10 P8
• SMILES: [Ag]1[C]2([Ag]3([P](c4ccccc4)(c4ccccc4)c4ccccc4)[C]4([Ag][C]([Ag]([C]3(#CC#CC3CCCCC3)[Ag]3)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[P](c5ccccc5)(c5ccccc5)c5ccccc5)(#CC#CC5CCCCC5)[Ag]([C]3([Ag]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)#CC#CC2CCCCC2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C]1([Ag]4([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)#CC#CC1CCCCC1)#CC#CC1CCCCC1)#CC#CC1CCCCC1.[O-]Cl(=O)(=O)=O.O(CC)CC.ClCCl.[O-]Cl(=O)(=O)=O.O(CC)CC.ClCCl
• Title of publication: Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation
• Authors of publication: Hau, Sam Chunkit; Mak, Thomas C. W.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 36.107 ± 0.003 Å
• b: 30.577 ± 0.003 Å
• c: 18.5765 ± 0.0016 Å
• α: 90°
• β: 109.178 ± 0.002°
• γ: 90°
• Cell volume: 19371 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0677
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No