Information card for entry 7109674

Structure parameters

• Formula: C101 H75 F12 N13 O18 S8 Zn2
• Calculated formula: C94 H64 F6 N12 O8 S6 Zn2
• SMILES: c1cccc2c3cccc4[n]3[Zn]356([n]12)[n]1c4scc1c1cc(c2c(OC)c(c4cc(c7[n]8c(sc7)c7[n]9c(c%10[n](cccc%10)[Zn]%10%1189[n]8ccccc8c8cccc([n]%108)c8[n]%11c(c9cc(c%10c(OC)c(c%11cc(c%12[n]5c(sc%12)c5[n]3c(c3[n]6cccc3)ccc5)ccc%11)cc(c%10)C)ccc9)cs8)ccc7)ccc4)cc(c2)C)ccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies
• Authors of publication: David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7785
• a: 40.525 ± 0.004 Å
• b: 24.073 ± 0.002 Å
• c: 12.188 ± 0.001 Å
• α: 90°
• β: 105.746 ± 0.002°
• γ: 90°
• Cell volume: 11443.9 ± 1.8 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 7
• 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: 0.1291
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No