Information card for entry 7217725

Structure parameters

• Formula: C125 H84 Cl12 F20 N12 O5 Zn4
• Calculated formula: C108 H56 Cl8 F20 N12 Zn4
• SMILES: Cl[Zn]1([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n]1cc2)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)Cl
• 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: 23.6145 ± 0.0015 Å
• b: 23.6145 ± 0.0015 Å
• c: 16.4568 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9177 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No