Information card for entry 2238235

Structure parameters

• Chemical name: Bis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis(nicotinamide-κ<i>N</i>)copper(II)
• Formula: C26 H20 Cl2 Cu N4 O6
• Calculated formula: C26 H20 Cl2 Cu N4 O6
• SMILES: [Cu]12([O]=C(O1)c1cc(Cl)ccc1)(OC(=[O]2)c1cc(Cl)ccc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: Bis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis(nicotinamide-κ<i>N</i>)copper(II)
• Authors of publication: Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m356 - m357
• a: 9.6614 ± 0.0002 Å
• b: 12.5429 ± 0.0003 Å
• c: 12.8728 ± 0.0003 Å
• α: 61.598 ± 0.002°
• β: 87.386 ± 0.003°
• γ: 77.115 ± 0.003°
• Cell volume: 1334.3 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes