Information card for entry 4133831

Structure parameters

• Formula: C6 N6 Pb3 S6
• Calculated formula: C6 N6 Pb3 S6
• Title of publication: Semiconductive Nature of Lead-Based Metal‒Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units
• Authors of publication: Kamakura, Yoshinobu; Chinapang, Pondchanok; Masaoka, Shigeyuki; Saeki, Akinori; Ogasawara, Kazuyoshi; Nishitani, Shigeto R.; Yoshikawa, Hirofumi; Katayama, Tetsuro; Tamai, Naoto; Sugimoto, Kunihisa; Tanaka, Daisuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 18.162 ± 0.016 Å
• b: 8.278 ± 0.007 Å
• c: 13.734 ± 0.013 Å
• α: 90°
• β: 127.187 ± 0.009°
• γ: 90°
• Cell volume: 1645 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No