Information card for entry 2241259

Structure parameters

• Chemical name: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[[4-(2-aminoethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^4^](azido-κ<i>N</i>^1^)copper(II)]
• Formula: C12 H18 Cu2 N12 O4
• Calculated formula: C12 H18 Cu2 N12 O4
• SMILES: C12C(=[O][Cu]3(N=N#N)([n]4c[nH]cc4CC[NH2]3)O1)O[Cu]1(N=N#N)([n]3c[nH]cc3CC[NH2]1)[O]=2
• Title of publication: Crystal structures of μ-oxalato-bis[azido(histamine)copper(II)] and μ-oxalato-bis[(dicyanamido)(histamine)copper(II)]
• Authors of publication: Liu, Chen; Abboud, Khalil A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1379 - 1383
• a: 13.4419 ± 0.0007 Å
• b: 7.4576 ± 0.0004 Å
• c: 17.7662 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.96 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes