Information card for entry 7707927

Structure parameters

• Formula: C12 H24 Ba2 N18 O15
• Calculated formula: C12 H24 Ba2 N18 O15
• Title of publication: Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity.
• Authors of publication: Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11975 - 11985
• a: 8.8208 ± 0.0018 Å
• b: 13.413 ± 0.003 Å
• c: 14.323 ± 0.003 Å
• α: 78.52 ± 0.03°
• β: 78.89 ± 0.03°
• γ: 87.03 ± 0.03°
• Cell volume: 1629.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No