Information card for entry 7062257

Structure parameters

• Formula: C8 H36 B20 N8 O56 V6
• Calculated formula: C8 H36 B20 N8 O56 V6
• Title of publication: Synthesis and proton conducting ability of a crystalline 3-D vanadoborate with [V6B20] architectures
• Authors of publication: Liu, Xinxin; Wang, Xianyu; Guo, Biao; Zhao, Sisi; Zhou, Lijing; Kong, Lian; Zhao, Zhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 3628 - 3634
• a: 11.2545 ± 0.0007 Å
• b: 11.9688 ± 0.0008 Å
• c: 12.3424 ± 0.0007 Å
• α: 93.043 ± 0.002°
• β: 113.419 ± 0.002°
• γ: 112.323 ± 0.003°
• Cell volume: 1369.89 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No