Information card for entry 4504052

Structure parameters

• Formula: C32 H30 N24 O21.06 S2 Zn7
• Calculated formula: C32 H30 N24 O21.06 S2 Zn7
• 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: 14.05 ± 0.003 Å
• b: 12.517 ± 0.003 Å
• c: 15.377 ± 0.003 Å
• α: 90°
• β: 97.95 ± 0.03°
• γ: 90°
• Cell volume: 2678.3 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0436
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No