Information card for entry 4129777

Structure parameters

• Formula: C43 H72 N6 O7 S3 Zn
• Calculated formula: C43 H72 N6 O7 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: 13.579 ± 0.002 Å
• b: 18.615 ± 0.003 Å
• c: 20.015 ± 0.004 Å
• α: 90.555 ± 0.002°
• β: 100.31 ± 0.002°
• γ: 110.958 ± 0.002°
• Cell volume: 4633.3 ± 1.4 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: 0.0795
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No