Information card for entry 7217724

Structure parameters

• Formula: C210 H162 Cl18 N18 O6 Zn6
• Calculated formula: C186 H126 Cl12 N18 Zn6
• SMILES: Cl[Zn]1(Cl)[n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n]([Zn]([n]3ccc(cc3)c3cc(cc(n3)c3cc[n](cc3)[Zn]([n]3ccc(cc3)c3cc(cc(n3)c3cc[n]([Zn]([n]4ccc(cc4)c4cc(cc(n4)c4cc[n](cc4)[Zn]([n]4ccc(cc4)c4cc(cc(n4)c4cc[n]1cc4)c1ccc(cc1)c1c4ccccc4ccc1)(Cl)Cl)c1ccc(cc1)c1c4ccccc4ccc1)(Cl)Cl)cc3)c1ccc(cc1)c1c3ccccc3ccc1)(Cl)Cl)c1ccc(cc1)c1c3ccccc3ccc1)(Cl)Cl)cc2)c1ccc(cc1)c1c2ccccc2ccc1)(Cl)Cl)c1ccc(cc1)c1c2ccccc2ccc1
• 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: 35.744 ± 0.002 Å
• b: 35.744 ± 0.002 Å
• c: 23.9081 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26453 ± 3 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: 0.0526
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No