Information card for entry 4509561

Structure parameters

• Common name: Zn~3~S(AmTAZ)~3~.(NO~3~)(H~2~O)
• Formula: C6 H11 N13 O4 S Zn3
• Calculated formula: C6 H10.98 N13.005 O3.965 S Zn3
• Title of publication: In-Situ X-ray Diffraction Studies of Host−Guest Properties in Nanoporous Zinc-Triazolate-Based Framework Materials
• Authors of publication: Halder, Gregory J.; Park, Hyunsoo; Funk, Russell J.; Chapman, Karena W.; Engerer, Laura K.; Geiser, Urs; Schlueter, John A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3609
• a: 16.282 ± 0.0004 Å
• b: 16.282 ± 0.0004 Å
• c: 16.282 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4316.42 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No