Information card for entry 7222486

Structure parameters

• Common name: [Cu2(L-Cl-O)(Mu2-PO2(OC6H5)2](ClO4)2
• Formula: C44 H40 Cl3 Cu2 N6 O13 P
• Calculated formula: C44 H40 Cl3 Cu2 N6 O13 P
• SMILES: [Cu]1234[O]5[Cu]67([N](Cc8[n]6cccc8)(Cc6c5c(C[N]1(Cc1[n]3cccc1)Cc1[n]2cccc1)cc(Cl)c6)Cc1[n]7cccc1)[O]=P(O4)(Oc1ccccc1)Oc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 9.9409 ± 0.0011 Å
• b: 42.116 ± 0.005 Å
• c: 10.8358 ± 0.001 Å
• α: 90°
• β: 103.104 ± 0.005°
• γ: 90°
• Cell volume: 4418.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No