Information card for entry 2243255

Structure parameters

• Chemical name: Tetrakis(μ-2-bromonicotinato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)
• Formula: C24 H16 Br4 Cu2 N4 O10
• Calculated formula: C24 H16 Br4 Cu2 N4 O10
• SMILES: c1(c(cccn1)C1=[O][Cu]234([Cu](O1)(OC(=[O]2)c1c(nccc1)Br)([O]=C(O3)c1c(Br)nccc1)([O]=C(c1c(Br)nccc1)O4)[OH2])[OH2])Br
• Title of publication: The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex
• Authors of publication: Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 225 - 230
• a: 7.5596 ± 0.0002 Å
• b: 9.7402 ± 0.0003 Å
• c: 20.5332 ± 0.0007 Å
• α: 90°
• β: 94.345 ± 0.003°
• γ: 90°
• Cell volume: 1507.56 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes