Information card for entry 2203504

Structure parameters

• Chemical name: Bis(triethanolamine)cobalt(II) benzene-1,4-dioxydiacetate
• Formula: C22 H38 Co N2 O12
• Calculated formula: C22 H38 Co N2 O12
• Title of publication: Bis(triethanolamine)cobalt(II) benzene-1,4-dioxydiacetate
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m462 - m464
• a: 11.116 ± 0.002 Å
• b: 10.48 ± 0.002 Å
• c: 11.369 ± 0.002 Å
• α: 90°
• β: 94.88 ± 0.03°
• γ: 90°
• Cell volume: 1319.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes