Information card for entry 7041415

Structure parameters

• Formula: C40 H74 Co4 K8 N8 O53
• Calculated formula: C40 H74 Co4 K8 N8 O53
• Title of publication: Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.
• Authors of publication: Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1290 - 1296
• a: 18.5061 ± 0.0005 Å
• b: 11.2747 ± 0.0003 Å
• c: 17.1975 ± 0.0004 Å
• α: 90°
• β: 98.944 ± 0.002°
• γ: 90°
• Cell volume: 3544.64 ± 0.16 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No