Information card for entry 7227413

Structure parameters

• Formula: C48 H34 Ag2 Cl8 N8 O10 S4
• Calculated formula: C48 H34 Ag2 Cl8 N8 O10 S4
• SMILES: c1[n]2c(ccc1)c1nc(cs1)c1c(O)c(cc(c1)C)c1[n]3c(c4[n]([Ag]3[n]3ccccc3c3nc(cs3)c3c(O)c(cc(c3)C)c3[n]5[Ag]2[n]2c(c5sc3)cccc2)cccc4)sc1.[O-]Cl(=O)(=O)=O.C(Cl)(Cl)Cl.[O-]Cl(=O)(=O)=O.C(Cl)(Cl)Cl
• Title of publication: Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates
• Authors of publication: Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1273
• a: 7.5797 ± 0.0002 Å
• b: 10.6965 ± 0.0003 Å
• c: 17.3538 ± 0.0005 Å
• α: 103.551 ± 0.001°
• β: 101.676 ± 0.001°
• γ: 90.482 ± 0.001°
• Cell volume: 1337.2 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No