Information card for entry 7224734

Structure parameters

• Formula: C100 H100 Br4 Cu2 N16 O2
• Calculated formula: C100 H96 Br4 Cu2 N16 O2
• Title of publication: Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions
• Authors of publication: Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 5004
• a: 15.3248 ± 0.001 Å
• b: 15.3248 ± 0.001 Å
• c: 23.354 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5484.7 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No