Information card for entry 4350267

Structure parameters

• Formula: C44 H66 Cu2 N4 O7
• Calculated formula: C44 H66 Cu2 N4 O7
• SMILES: c12c(cc(c(c1)C)C)C[N]13[Cu]4(O2)([O](c2cc(c(cc2C1)C)C)[Cu]125[N](Cc6c(cc(c(c6)C)C)O2)(Cc2c([O]45)cc(c(c2)C)C)CC[N]1(C)C)[N](CC3)(C)C.O.O.O
• Title of publication: Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.
• Authors of publication: Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7903 - 7914
• a: 20.434 ± 0.013 Å
• b: 8.349 ± 0.002 Å
• c: 27.166 ± 0.008 Å
• α: 90°
• β: 106.72 ± 0.04°
• γ: 90°
• Cell volume: 4439 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3205
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No