Information card for entry 2019845

Structure parameters

• Chemical name: Diaqua(μ~2~-triethylenetetraminehexaacetato)dizinc tetrahydrate
• Formula: C18 H38 N4 O18 Zn2
• Calculated formula: C18 H38 N4 O18 Zn2
• Title of publication: Crystal structure of diaqua(μ2-triethylenetetraminehexaacetato)dizinc tetrahydrate
• Authors of publication: Liu, Huan; Lu, Li-Ping
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m55
• a: 7.133 ± 0.0014 Å
• b: 8.7013 ± 0.0016 Å
• c: 11.979 ± 0.002 Å
• α: 103.969 ± 0.002°
• β: 101.052 ± 0.002°
• γ: 100.882 ± 0.003°
• Cell volume: 686.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes