Information card for entry 7130283

Structure parameters

• Formula: C22 H21 N7 O5 Zn
• Calculated formula: C22 H21 N7 O5 Zn
• Title of publication: Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex
• Authors of publication: Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.9713 ± 0.0006 Å
• b: 12.0179 ± 0.001 Å
• c: 14.2464 ± 0.0011 Å
• α: 72.986 ± 0.002°
• β: 87.232 ± 0.002°
• γ: 83.64 ± 0.002°
• Cell volume: 1134.15 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No