Information card for entry 1516819

Structure parameters

• Formula: C80 H124 N4 O15 Re2 Ti2
• Calculated formula: C80 H124 N4 O15 Re2 Ti2
• Title of publication: Heteropolymetallic complexes containing ReO4-: Catalytic oxidation of sulfide
• Authors of publication: Chen Li; Xiao Peng; Shou-Chun Zhang; Li-Yuan Chai; Xiao-Yi Yi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 113 - 116
• a: 19.9022 ± 0.0001 Å
• b: 17.8522 ± 0.0001 Å
• c: 24.9096 ± 0.0001 Å
• α: 90°
• β: 90.652 ± 0.001°
• γ: 90°
• Cell volume: 8849.76 ± 0.08 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 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: 0.0397
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No