Information card for entry 4127998

Structure parameters

• Formula: C104 H102 O10 S6
• Calculated formula: C104 H102 O10 S6
• Title of publication: One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.
• Authors of publication: Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 39
• Pages of publication: 15649 - 15655
• a: 16.975 ± 0.006 Å
• b: 12.176 ± 0.004 Å
• c: 21.669 ± 0.007 Å
• α: 90°
• β: 104.674 ± 0.006°
• γ: 90°
• Cell volume: 4333 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No