Information card for entry 7134584

Structure parameters

• Formula: C49 H51.88 Br0.56 Cd N9 O12.44
• Calculated formula: C36 H20.88 Br0.56 Cd N6 O8.44
• Title of publication: Uncommon quadruple stacking topology in a honeycomb-sheet MOF compatible with through-space conduction
• Authors of publication: Tanabe, Tappei; Qu, Liyuan; Ueno, Kenta; Takaishi, Shinya; Yamashita, Masahiro; Hijikata, Yuh; Matsuda, Ryotaro; Sakamoto, Ryota; Iguchi, Hiroaki
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9500 - 9503
• a: 9.679 ± 0.005 Å
• b: 36.891 ± 0.006 Å
• c: 54.555 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19480 ± 12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.3577
• Weighted residual factors for all reflections included in the refinement: 0.3635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.595
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No