Information card for entry 2243592

Structure parameters

• Chemical name: Bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}-1:2κ^4^<i>O</i>,<i>O</i>',\ <i>O</i>'':<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>,<i>O</i>',<i>O</i>''-\ bis(μ-3,5-dimethylpyrazolato)-1:2κ^2^<i>N</i>^1^:<i>N</i>^2^;\ 2:3<i>N</i>^1^:<i>N</i>^2^-tricopper(II) dibromide sesquihydrate
• Formula: C22 H45 Br2 Cu3 N6 O7.5
• Calculated formula: C22 H45 Br2 Cu3 N6 O7.5
• Title of publication: Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate
• Authors of publication: Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1641 - 1644
• a: 14.493 ± 0.0007 Å
• b: 8.8855 ± 0.0003 Å
• c: 26.6017 ± 0.0011 Å
• α: 90°
• β: 103.998 ± 0.005°
• γ: 90°
• Cell volume: 3324 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes