Information card for entry 4129776

Structure parameters

• Formula: C43 H73 N7 O6 S3 Zn
• Calculated formula: C43 H73 N7 O6 S3 Zn
• Title of publication: Hydrogen Peroxide Complex of Zinc.
• Authors of publication: Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 46
• Pages of publication: 14606 - 14609
• a: 9.117 ± 0.002 Å
• b: 13.492 ± 0.003 Å
• c: 20.272 ± 0.004 Å
• α: 97.526 ± 0.003°
• β: 96.225 ± 0.003°
• γ: 109.087 ± 0.003°
• Cell volume: 2305.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No