Information card for entry 7224155

Structure parameters

• Formula: C50 H34 Cu4 N4 O15
• Calculated formula: C50 H34 Cu4 N4 O15
• Title of publication: Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid
• Authors of publication: Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 1878
• a: 7.48 ± 0.0015 Å
• b: 23.63 ± 0.005 Å
• c: 12.47 ± 0.003 Å
• α: 90°
• β: 98.05 ± 0.03°
• γ: 90°
• Cell volume: 2182.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No