Information card for entry 4350265

Structure parameters

• Formula: C48 H66 Co2 N6 O4
• Calculated formula: C48 H66 Co2 N6 O4
• SMILES: c12c(cc(c(c1)C)C)C[N]13Cc4c([O]5[Co]3([N](C)(CC1)C)(O2)[O]1c2c(C[N]36Cc7c(cc(c(c7)C)C)O[Co]516[N](CC3)(C)C)cc(c(c2)C)C)cc(c(c4)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: 23.057 ± 0.006 Å
• b: 11.645 ± 0.003 Å
• c: 17.383 ± 0.004 Å
• α: 90°
• β: 95.41 ± 0.006°
• γ: 90°
• Cell volume: 4647 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No