Information card for entry 7125931

Structure parameters

• Formula: C60 H80 B2 F4 I4 N4 O23 V6
• Calculated formula: C58 H80 B2 F4 I4 N6 O23 V6
• Title of publication: Polyoxovanadate-iodobodipy supramolecular assemblies: new agents for high efficiency cancer photochemotherapy.
• Authors of publication: Gu, Yaqi; Li, Qi; Huang, Yichao; Zhu, Yingting; Wei, Yongge; Ruhlmann, Laurent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 19
• Pages of publication: 2869 - 2872
• a: 10.02302 ± 0.00017 Å
• b: 22.8571 ± 0.0004 Å
• c: 15.9505 ± 0.0003 Å
• α: 90°
• β: 91.5838 ± 0.0017°
• γ: 90°
• Cell volume: 3652.82 ± 0.11 ų
• Cell temperature: 109.5 ± 0.7 K
• Ambient diffraction temperature: 109.5 ± 0.7 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No