Information card for entry 7715708

Structure parameters

• Formula: C36 H56 Mn2 N28 O93 P2 W24
• Calculated formula: C36 H54 Mn2 N28 O93 P2 W24
• Title of publication: Effective oxygen activation on polyoxometalate-based hybrids for epoxidation of alkenes.
• Authors of publication: Bai, Xue; Zhu, Maochun; Liu, Yifei; Xing, Min; Ji, Xiaoying; Zhang, Ange; Yang, Yanli; Lu, Ying; Liu, Shuxia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6875 - 6880
• a: 13.1218 ± 0.0003 Å
• b: 18.3926 ± 0.0004 Å
• c: 23.5962 ± 0.0006 Å
• α: 90°
• β: 93.494 ± 0.002°
• γ: 90°
• Cell volume: 5684.2 ± 0.2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No