Information card for entry 7222487

Structure parameters

• Common name: [Cu2(L-Cl-O)(dca)2](MeCN)2
• Formula: C40 H36 Cl Cu2 F6 N14 O P
• Calculated formula: C40 H36 Cl Cu2 F6 N14 O P
• SMILES: [Cu]123([O]4[Cu]56([N](Cc7c4c(cc(Cl)c7)C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)(Cc1[n]6cccc1)Cc1[n]5cccc1)N=C=NC#N)N=C=NC#N.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate
• Authors of publication: Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.2623 ± 0.0007 Å
• b: 12.0018 ± 0.0005 Å
• c: 21.7768 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4250.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No