Information card for entry 7005237

Structure parameters

• Formula: C48 H44 Cl4 Cu6 N14 O8
• Calculated formula: C48 H44 Cl4 Cu6 N14 O8
• SMILES: c1cccc2C3(c4[n]([Cu]5678[N](=N#N)[Cu]9%10%11([O]%12[Cu]([n]12)([O]35)[n]1ccccc1C%12(c1cccc[n]91)OC)([N]8=N#N)[Cu]12([n]3ccccc3C(c3cccc[n]73)(OC)[O]61)[n]1ccccc1C(c1cccc[n]%101)(OC)[O]%112)cccc4)OC.[Cu](Cl)[Cl-].Cl[Cu][Cl-]
• Title of publication: Metal complexes formed by metal-assisted solvolysis of di-pyridylketone azine: structures and magnetic properties.
• Authors of publication: Wu, Da-Yu; Huang, Wei; Hua, Wei-Jie; Song, You; Duan, Chun-Ying; Li, Shu-Hua; Meng, Qing-Jin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1838 - 1845
• a: 15.491 ± 0.002 Å
• b: 15.491 ± 0.002 Å
• c: 45.272 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10864 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No