Information card for entry 7031488

Structure parameters

• Chemical name: bis(μ-Bromo)-bis(N-(L-leucine)-N'-(pyridin-2-ylmethyl)oxalamidato-N,N'',O)- di-copper(II)
• Formula: C30 H40 Br2 Cu2 N6 O8
• Calculated formula: C30 H40 Br2 Cu2 N6 O8
• SMILES: c12cccc[n]2[Cu]23(N(C1)C(=O)C(N[C@@H](CC(C)C)C(=O)OC)=[O]2)[Br][Cu]12([n]4c(cccc4)CN1C(=O)C(N[C@@H](CC(C)C)C(=O)OC)=[O]2)[Br]3
• 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: 8.4814 ± 0.0003 Å
• b: 9.3314 ± 0.0004 Å
• c: 11.7613 ± 0.0003 Å
• α: 81.072 ± 0.003°
• β: 78.321 ± 0.003°
• γ: 76.097 ± 0.004°
• Cell volume: 879.28 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No