Information card for entry 7225405

Structure parameters

• Formula: C54 H68 Ag4 B4 F16 O8 S4
• Calculated formula: C54 H68 Ag4 B4 F16 O8 S4
• SMILES: [B](F)(F)(F)[F-].C1CC[O]2c3ccccc3C[S]34[Ag]52[O]1c1ccccc1C[S]5(Cc1c(C4)cccc1)[Ag]([F][B](F)(F)F)([OH]C)[S]12[Ag]45[O](CCC[O]4c4ccccc4C2)c2c(C[S]5([Ag]3([F][B](F)(F)F)[OH]C)Cc3c(cccc3)C1)cccc2.OC.[B](F)(F)(F)[F-].OC
• Title of publication: Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer
• Authors of publication: Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 5253
• a: 13.2688 ± 0.0018 Å
• b: 17.186 ± 0.002 Å
• c: 14.3147 ± 0.0019 Å
• α: 90°
• β: 103.795 ± 0.002°
• γ: 90°
• Cell volume: 3170.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No