Information card for entry 7032837

Structure parameters

• Formula: C100 H112 Cu2 N16 O16 S2
• Calculated formula: C100 H96 Cu2 N16 O16 S2
• Title of publication: Efficient removal of perchlorate ion from water by a water-insoluble M2L4 type compound.
• Authors of publication: Mochizuki, Masaru; Inoue, Tatsunari; Yamanishi, Katsunori; Koike, Shiori; Kondo, Mitsuru; Zhang, Liang; Aoki, Hiromi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 17924 - 17927
• a: 19.508 ± 0.015 Å
• b: 24.484 ± 0.019 Å
• c: 13.377 ± 0.012 Å
• α: 90°
• β: 126.072 ± 0.007°
• γ: 90°
• Cell volume: 5164 ± 7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No