Information card for entry 1556599

Structure parameters

• Formula: C87.5 H82 Ag2 Fe O7.5 P4
• Calculated formula: C87.5 H82 Ag2 Fe O7.5 P4
• SMILES: [Ag]1(OC(=[O]1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([cH]9[cH]8[cH]7[cH]61)C(=O)O[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CO.CO.CO.CO
• Title of publication: Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight
• Authors of publication: Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 757 - 767
• a: 13.2313 ± 0.0009 Å
• b: 30.795 ± 0.002 Å
• c: 18.556 ± 0.0012 Å
• α: 90°
• β: 94.183 ± 0.002°
• γ: 90°
• Cell volume: 7540.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No