Information card for entry 1515575

Structure parameters

• Formula: C156 H84 N48 O68 Zn7
• Calculated formula: C156 H84 N48 O68.04 Zn7
• Title of publication: A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide
• Authors of publication: Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 2214
• a: 27.1704 ± 0.0019 Å
• b: 27.1704 ± 0.0019 Å
• c: 27.1704 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20058 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No