Information card for entry 2014295

Structure parameters

• Chemical name: μ-2-hydroxybutanedioato-1κ^2^O^4^,O^4'^:2κ^2^O^2^,O^2^-nitrato-2κO- tris(1,10-phenanthroline)-1κ^4^N,N';2κ^2^N,N'-dicopper(II) nitrate tetrahydrate
• Formula: C40 H36 Cu2 N8 O15
• Calculated formula: C40 H36 Cu2 N8 O15
• Title of publication: [{Cu(phen)~2~}(μ-malato){Cu(phen)(NO~3~)}](NO~3~)·4H~2~O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex
• Authors of publication: Zhang, Xiang-Dong; Sun, Jin-Yu; Zhao, Zhen; Ma, Yong-Chao; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m4 - m6
• a: 12.448 ± 0.003 Å
• b: 14.878 ± 0.004 Å
• c: 22.483 ± 0.006 Å
• α: 90°
• β: 97.655 ± 0.005°
• γ: 90°
• Cell volume: 4126.8 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes