Information card for entry 1561022

Structure parameters

• Formula: C42 H29 Ba2 Cu2 I Li2 N7 O15.5
• Calculated formula: C42 H29 Ba2 Cu2 I Li2 N7 O15.5
• Title of publication: Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units
• Authors of publication: Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 265
• Pages of publication: 393 - 401
• a: 14.392 ± 0.006 Å
• b: 27.158 ± 0.011 Å
• c: 28.376 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11091 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes