Information card for entry 7000272

Structure parameters

• Formula: C34 H34 Cu N4 Ni O6
• Calculated formula: C34 H34 Cu N4 Ni O6
• SMILES: [O]12[Ni]3456Oc7c(C=[N]5CC[N]56[C@H]([N]6([Cu]81(Oc1c(C=[N]8CC6)cccc1)[O]3c1ccccc1C=[O]4)CC5)c1c2cccc1)cccc7.O
• Title of publication: Dissymmetry of an exogenous bridging ligand facilitates the assembly of a ferromagnetic and chiral [CuIINiII] complex
• Authors of publication: Paital, Alok Ranjan; Ribas, Joan; Barrios, Leoní A.; Aromí, Guillem; Ray, Debashis
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 256 - 258
• a: 11.245 ± 0.003 Å
• b: 16.719 ± 0.002 Å
• c: 16.859 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3169.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No