Information card for entry 7003434

Structure parameters

• Formula: C163.4 H120 Cu8.5 F25.8 N54 O19.2 P3.6 S1.4
• Calculated formula: C163.4 H114 Cu8.5 F25.8 N54 O19.2 P3.6 S1.4
• Title of publication: Ligand directed self-assembly of polymetallic [n ×n] grids: rational routes to large functional molecular subunits?
• Authors of publication: Dawe, Louise N.; Abedin, Tareque S. M.; Thompson, Laurence K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1661 - 1675
• a: 20.58 ± 0.003 Å
• b: 20.58 ± 0.003 Å
• c: 22.97 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9729 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.3616
• Weighted residual factors for all reflections included in the refinement: 0.3717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.683
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No