Information card for entry 4504053

Structure parameters

• Common name: Zinc Sodium Triazole Sulfoisophthalate
• Formula: C48 H52 N16 Na2 O32.8 S4 Zn5
• Calculated formula: C48 H52 N16 Na2 O32.78 S4 Zn5
• Title of publication: Solvothermal Synthesis and Structural Characterization of New Zn−Triazole−Sulfoisophthalate Frameworks
• Authors of publication: Park, Hyunsoo; Krigsfeld, Gabriel; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 736
• a: 9.7012 ± 0.0019 Å
• b: 12.442 ± 0.003 Å
• c: 17.218 ± 0.003 Å
• α: 89.83 ± 0.03°
• β: 75.01 ± 0.03°
• γ: 73.33 ± 0.03°
• Cell volume: 1917.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No