Information card for entry 7217727

Structure parameters

• Formula: C206 H146 Cl18 N18 O2 Zn6
• Calculated formula: C186 H126 Cl12 N18 Zn6
• SMILES: [Zn]1(Cl)(Cl)[n]2ccc(cc2)c2nc(cc(c2)c2ccc(cc2)c2c3ccccc3ccc2)c2cc[n]([Zn](Cl)(Cl)[n]3ccc(cc3)c3nc(cc(c3)c3ccc(cc3)c3c4ccccc4ccc3)c3cc[n]([Zn](Cl)(Cl)[n]4ccc(cc4)c4nc(cc(c4)c4ccc(cc4)c4c5ccccc5ccc4)c4cc[n]([Zn](Cl)(Cl)[n]5ccc(cc5)c5nc(cc(c5)c5ccc(cc5)c5c6ccccc6ccc5)c5cc[n]([Zn](Cl)(Cl)[n]6ccc(cc6)c6nc(cc(c6)c6ccc(cc6)c6c7ccccc7ccc6)c6cc[n]([Zn](Cl)(Cl)[n]7ccc(cc7)c7nc(cc(c7)c7ccc(cc7)c7c8ccccc8ccc7)c7cc[n]1cc7)cc6)cc5)cc4)cc3)cc2
• Title of publication: Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8691
• a: 70.6015 ± 0.0018 Å
• b: 70.6015 ± 0.0018 Å
• c: 23.992 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 103568 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.179
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.2869
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No