Information card for entry 7217729

Structure parameters

• Formula: C158 H93 Cl22 F20 N12 O2 Zn4
• Calculated formula: C108 H56 Cl8 F20 N12 Zn4
• 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: 14.3665 ± 0.0006 Å
• b: 20.7814 ± 0.0008 Å
• c: 26.2162 ± 0.0013 Å
• α: 99.654 ± 0.003°
• β: 97.51 ± 0.003°
• γ: 103.905 ± 0.003°
• Cell volume: 7369.5 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1002
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No