Information card for entry 7053242

Structure parameters

• Formula: B16 Cd3 H53.5 Na3.5 O79.5 V12
• Calculated formula: B16 Cd3 Na3.5 O79.5 V12
• Title of publication: Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers
• Authors of publication: Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 12
• Pages of publication: 4077
• a: 12.393 ± 0.005 Å
• b: 12.925 ± 0.005 Å
• c: 20.31 ± 0.009 Å
• α: 93.317 ± 0.005°
• β: 91.661 ± 0.005°
• γ: 100.267 ± 0.005°
• Cell volume: 3193 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No