Information card for entry 7050862

Structure parameters

• Formula: C26 H36 Cl4 Cu2 N12 O12
• Calculated formula: C26 H36 Cl4 Cu2 N12 O12
• SMILES: [Cu]123([Cl][Cu]456[N]7(CC[N]4(CCC7)Cc4[n]6c[nH]c4)Cc4[n]5c[nH]c4)[N]4(CC[N]1(CCC4)Cc1[n]3c[nH]c1)Cc1[n]2c[nH]c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Structural and first magnetic characterization of unique mono-µ-chloro bridged dinuclear CuII complexes with heterocycle-functionalized diazamesocyclic ligands
• Authors of publication: Du, Miao; Guo, Ya-Mei; Bu, Xian-He; Ribas, Joan; Monfort, Montserrat
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 939
• a: 11.462 ± 0.004 Å
• b: 12.79 ± 0.004 Å
• c: 26.465 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3880 ± 2 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: 0.1529
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No