Information card for entry 7246942

Structure parameters

• Chemical name: L-Pro-Mn-Anderson
• Formula: C46 H106 Mn Mo7.5 N4 O44 S14
• Calculated formula: C40 H98 Mn Mo7.5 N4 O41 S11
• Title of publication: A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
• Authors of publication: Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 6263 - 6269
• a: 33.5555 ± 0.0004 Å
• b: 30.4959 ± 0.0004 Å
• c: 9.33799 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9555.61 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No