Information card for entry 7236075

Structure parameters

• Formula: C120 H72 O27 Zn8
• Calculated formula: C120 H72 O27 Zn8
• Title of publication: A porous metal‒organic framework formed by a V-shaped ligand and Zn(ii) ion with highly selective sensing for nitroaromatic explosives
• Authors of publication: He, Hongming; Song, Yang; Sun, Fuxing; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 32
• Pages of publication: 16598
• a: 23.452 ± 0.004 Å
• b: 23.452 ± 0.004 Å
• c: 79.27 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 37757 ± 17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No