Information card for entry 7110695

Structure parameters

• Common name: vbp-j1
• Formula: C24 H120 B6 N17 O86 P12 V12
• Calculated formula: C24 H136.2 B6 N15.2 O85 P12 V12
• Title of publication: Synthesis and structures of two new 12-member ring crown-shaped oxovanadium borophosphates
• Authors of publication: Zhao, Yongnan; Zhu, Guangshan; Liu, Wang; Zou, Yongcun; Pang, Wenqin
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 2219
• a: 21.454 ± 0.011 Å
• b: 16.315 ± 0.006 Å
• c: 29.651 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10379 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No