Information card for entry 4301265

Structure parameters

• Formula: C46 H60 Cl4 Cu4 N9 O24
• Calculated formula: C46 H60 Cl4 Cu4 N9 O24
• SMILES: c1[n]2[Cu]34([N](CCc2ccc1)(C)CCC(O3)=[O][Cu]12([n]3ccccc3CC[N]1(C)CCC(O2)=[O][Cu]12([n]3ccccc3CC[N]1(C)CCC(O2)=[O][Cu]12([n]3ccccc3CC[N]1(C)CCC(O2)=[O]4)OCl(=O)(=O)=O)OCl(=O)(=O)=O)OCl(=O)(=O)=O)OCl(=O)(=O)=O.C(C)#N
• Title of publication: One-Dimensional CoII and CuII Coordination Polymers and a Discrete CuII4 Complex of Carboxylate-Appended (2-Pyridyl)alkylamine Ligands: Spin-Canting and Anti-/Ferromagnetic Coupling
• Authors of publication: Himanshu Arora; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1158 - 1167
• a: 19.038 ± 0.005 Å
• b: 19.038 ± 0.005 Å
• c: 8.374 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No