Information card for entry 4350268

Structure parameters

• Formula: C48 H66 Cu2 N6 O4
• Calculated formula: C48 H66 Cu2 N6 O4
• SMILES: c12c(cc(c(c1)C)C)C[N]13CC[N]([Cu]41(O2)[O](c1cc(c(cc1C3)C)C)[Cu]123[N](Cc5c(cc(c(c5)C)C)O2)(Cc2c([O]43)cc(c(c2)C)C)CC[N]1(C)C)(C)C.C(#N)C.C(#N)C
• 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: 9.0313 ± 0.0015 Å
• b: 11.0953 ± 0.0018 Å
• c: 12.8729 ± 0.0019 Å
• α: 80.93 ± 0.001°
• β: 73.87 ± 0.001°
• γ: 72.98 ± 0.001°
• Cell volume: 1180.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No