Information card for entry 7130722

Structure parameters

• Chemical name: KGF-15(Y)
• Formula: C42.5 H38.5 N2 O16 Y2
• Calculated formula: C42.5 H38.5 N2 O16 Y2
• Title of publication: Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks
• Authors of publication: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.0356 ± 0.0005 Å
• b: 47.4052 ± 0.0016 Å
• c: 11.4193 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9222 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No