Information card for entry 1561021

Structure parameters

• Formula: C40 H47 Ba2 Cu2 I2 Li2 N8 O16.5
• Calculated formula: C40 H51 Ba2 Cu2 I2 Li2 N8 O16.5
• 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: 16.363 ± 0.005 Å
• b: 27.061 ± 0.008 Å
• c: 26.853 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11890 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes