Information card for entry 4129778

Structure parameters

• Formula: C86 H142 N10 O15 S6 Zn2
• Calculated formula: C86 H142 N10 O15.042 S6 Zn2
• 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: 9.3583 ± 0.0012 Å
• b: 13.4896 ± 0.0018 Å
• c: 19.634 ± 0.003 Å
• α: 92.9514 ± 0.0019°
• β: 97.9613 ± 0.0018°
• γ: 109.139 ± 0.0019°
• Cell volume: 2306.6 ± 0.6 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: 0.1204
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No