Information card for entry 7217173

Structure parameters

• Common name: [Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^
• Formula: C154 H214 Ba5 N12 O65
• Calculated formula: C120 H72 Ba5 O30
• Title of publication: Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity
• Authors of publication: Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8706
• a: 15.0263 ± 0.0003 Å
• b: 15.0263 ± 0.0003 Å
• c: 17.6363 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3448.6 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No