Information card for entry 4506816

Structure parameters

• Formula: C50 H68 Ag2 Cl2 N2 O16 S4
• Calculated formula: C50 H68 Ag2 Cl2 N2 O16 S4
• SMILES: [Ag]1([S]2Cc3c(OCCOc4c(C[S]1CCOCCOCC2)cccc4)cccc3)[N]12CC[N]([Ag]3[S]4Cc5c(OCCOc6c(C[S]3CCOCCOCC4)cccc6)cccc5)(CC1)CC2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures
• Authors of publication: Ju, Huiyeong; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4972
• a: 10.3496 ± 0.0006 Å
• b: 12.182 ± 0.0007 Å
• c: 23.522 ± 0.0013 Å
• α: 84.168 ± 0.002°
• β: 79.867 ± 0.002°
• γ: 73.06 ± 0.002°
• Cell volume: 2788.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2974
• Weighted residual factors for all reflections included in the refinement: 0.312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No