Information card for entry 7714613

Structure parameters

• Formula: C50 H45 Fe2 Mo11 N12 O45 P V3
• Calculated formula: C50 H43 Fe2 Mo10.944 N12 O45 P V3.056
• Title of publication: An iron-containing POM-based hybrid compound as a heterogeneous catalyst for one-step hydroxylation of benzene to phenol.
• Authors of publication: Li, Si-Man; Wang, Ji-Lei; Zhou, Jiu-Lin; Xiang, Xin-Ying; Yu, Ya-Ting; Chen, Qun; Mei, Hua; Xu, Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1058 - 1065
• a: 12.407 ± 0.003 Å
• b: 13.254 ± 0.004 Å
• c: 13.666 ± 0.004 Å
• α: 76.214 ± 0.003°
• β: 83.441 ± 0.003°
• γ: 65.96 ± 0.003°
• Cell volume: 1992.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No