Information card for entry 7036786

Structure parameters

• Formula: C16 H88 B20 Cu4 N16 Na2 O75 V12
• Calculated formula: C16 H88 B20 Cu4 N16 Na2 O75 V12
• Title of publication: Employing a new 12-connected topological open-framework copper borovanadate as an effective heterogeneous catalyst for oxidation of benzyl-alkanes.
• Authors of publication: Feng, Yuquan; Ding, Chenghua; Fan, Huitao; Zhong, Zhiguo; Qiu, Dongfang; Shi, Hengzhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18731 - 18736
• a: 12.4021 ± 0.0015 Å
• b: 25.291 ± 0.003 Å
• c: 16.5039 ± 0.0015 Å
• α: 90°
• β: 121.51 ± 0.006°
• γ: 90°
• Cell volume: 4413.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No