Information card for entry 7205526

Structure parameters

• Formula: C46 H46 F6 N4 O3 S2 Si Zn
• Calculated formula: C46 H46 F6 N4 O3 S2 Si Zn
• Title of publication: Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks
• Authors of publication: Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 776
• a: 17.7892 ± 0.0003 Å
• b: 17.7892 ± 0.0003 Å
• c: 15.0473 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4761.8 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No