Information card for entry 4509562

Structure parameters

• Formula: C22 H38 N32 O10 Zn7
• Calculated formula: C22 H38 N32 O10 Zn7
• 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: 26.352 ± 0.003 Å
• b: 22.909 ± 0.002 Å
• c: 16.5408 ± 0.0015 Å
• α: 90°
• β: 97.259 ± 0.004°
• γ: 90°
• Cell volume: 9905.6 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No