Information card for entry 7031489

Structure parameters

• Chemical name: bis(μ-Bromo)-bis(N-benzyl-N'-((2-pyridin-2-yl)methyl)oxalamidato-N,N'',O)- di-copper(II)
• Formula: C30 H28 Br2 Cu2 N6 O4
• Calculated formula: C30 H28 Br2 Cu2 N6 O4
• SMILES: c12[n](cccc1)[Cu]13([Br][Cu]45([n]6c(cccc6)CN4C(=O)C(NCc4ccccc4)=[O]5)[Br]3)N(C2)C(=O)C(NCc2ccccc2)=[O]1
• Title of publication: Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(ii) dimers.
• Authors of publication: Zilić, Dijana; Rakvin, Boris; Milić, Dalibor; Pajić, Damir; Dilović, Ivica; Cametti, Massimo; Džolić, Zoran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 11877 - 11887
• a: 8.0988 ± 0.0006 Å
• b: 9.6585 ± 0.0006 Å
• c: 10.1449 ± 0.0006 Å
• α: 93.172 ± 0.005°
• β: 90.749 ± 0.005°
• γ: 94.721 ± 0.005°
• Cell volume: 789.53 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0802
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No