Information card for entry 7247951

Structure parameters

• Formula: C28 H26 Fe O4 Se2
• Calculated formula: C28 H26 Fe O4 Se2
• SMILES: [Se]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([Se]Cc2ccc(cc2)C(=O)OC)[cH]6[cH]7[cH]8[cH]91)Cc1ccc(cc1)C(=O)OC
• Title of publication: Ferrocenylselenoether and its cuprous cluster modified TiO2 as visible-light photocatalyst for the synergistic transformation of N-cyclic organics and Cr(vi)
• Authors of publication: Yang, Zhuo; Wang, Jinshan; Li, Aimin; Wang, Chao; Ji, Wei; Pires, Elísabet; Yang, Wenzhong; Jing, Su
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 1488 - 1500
• a: 12.387 ± 0.003 Å
• b: 6.2596 ± 0.0017 Å
• c: 33.747 ± 0.009 Å
• α: 90°
• β: 91.613 ± 0.003°
• γ: 90°
• Cell volume: 2615.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1038
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No