Information card for entry 7023668

Structure parameters

• Formula: C31 H22 Cl2 Cu N5 O5
• Calculated formula: C31 H22 Cl2 Cu N5 O5
• Title of publication: Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.
• Authors of publication: Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15756 - 15765
• a: 9.5497 ± 0.0007 Å
• b: 13.106 ± 0.001 Å
• c: 13.2621 ± 0.001 Å
• α: 105.921 ± 0.007°
• β: 107.693 ± 0.007°
• γ: 99.079 ± 0.006°
• Cell volume: 1467.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No