Information card for entry 2243555

Structure parameters

• Chemical name: Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)
• Formula: C14 H25 Cl2 Cu2 N5 O2
• Calculated formula: C14 H25 Cl2 Cu2 N5 O2
• SMILES: c1(cc(C)[n]([Cu]2(Cl)n3c(cc(C)[n]3[Cu]34(Cl)[NH](CC[O]23)CC[OH]4)C)[nH]1)C
• Title of publication: Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)
• Authors of publication: Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1503 - 1507
• a: 9.0732 ± 0.0005 Å
• b: 10.746 ± 0.0006 Å
• c: 11.5578 ± 0.0006 Å
• α: 92.373 ± 0.004°
• β: 102.383 ± 0.005°
• γ: 112.703 ± 0.005°
• Cell volume: 1005.71 ± 0.11 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0328
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes