Information card for entry 4303176

Structure parameters

• Formula: C46 H56 Cu2 F12 N6 O4 P2 S2
• Calculated formula: C44 H48 Cu2 F12 N6 O2 P2 S2
• SMILES: [Cu]12345[S](c6c7[O]2[Cu]289([S](C)c%10c([O]12)c(C[N]5(CCc1[n]4cccc1)Cc1[n]3cccc1)cc(c%10)C)[n]1c(cccc1)C[N]9(CCc1[n]8cccc1)Cc7cc(c6)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mononuclear and Polynuclear Copper(II) Complexes Derived from Pyridylalkylaminomethylphenol Polypodal Ligands
• Authors of publication: Jorge Manzur; Hector Mora; Andrés Vega; Diego Venegas-Yazigi; Miguel A. Novak; José Ricardo Sabino; Verónica Paredes-García; Evgenia Spodine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8845 - 8855
• a: 12.8364 ± 0.0011 Å
• b: 19.5117 ± 0.0016 Å
• c: 21.4151 ± 0.0018 Å
• α: 90°
• β: 105.061 ± 0.002°
• γ: 90°
• Cell volume: 5179.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No