Information card for entry 4512510

Structure parameters

• Formula: C40 H36 Cl2 F3 N3 O7 P Re S
• Calculated formula: C39.999 H35.998 Cl1.998 F3 N3 O7 P Re S
• Title of publication: Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity
• Authors of publication: Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 511
• a: 12.089 ± 0.0019 Å
• b: 9.0476 ± 0.0014 Å
• c: 36.982 ± 0.006 Å
• α: 90°
• β: 91.534 ± 0.002°
• γ: 90°
• Cell volume: 4043.5 ± 1.1 ų
• Cell temperature: 177 ± 2 K
• Ambient diffraction temperature: 177 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No