Information card for entry 7122783

Structure parameters

• Formula: C66 H54 N12 O6 S2 Zn
• Calculated formula: C66 H54 N12 O6 S2 Zn
• Title of publication: Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks
• Authors of publication: Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.908 ± 0.005 Å
• b: 14.81 ± 0.004 Å
• c: 23.713 ± 0.007 Å
• α: 90°
• β: 111.389 ± 0.01°
• γ: 90°
• Cell volume: 5856 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.06 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No