Information card for entry 7026358

Structure parameters

• Formula: C20 H20 Cu4 N18 O11
• Calculated formula: C20 H20 Cu4 N18 O11
• SMILES: [Cu]123[O]4[Cu]5([NH]C6=[N]4[Cu]4([O]7[Cu]8([NH]C(=[N]37)c3[n]2cccn3)[n]2c(nccc2)C(=[N]8O4)N)(ON(=O)=O)[n]2c6nccc2)[N](=C(N)c2[n]5cccn2)O1.O=N(=O)[O-].O
• Title of publication: Use of 2-pyrimidineamidoxime to generate polynuclear homo-/heterometallic assemblies: synthesis, crystal structures and magnetic study with theoretical investigations on the exchange mechanism.
• Authors of publication: Gole, Bappaditya; Chakrabarty, Rajesh; Mukherjee, Sandip; Song, You; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9766 - 9778
• a: 27.924 ± 0.006 Å
• b: 16.597 ± 0.003 Å
• c: 15.514 ± 0.003 Å
• α: 90°
• β: 121.934 ± 0.008°
• γ: 90°
• Cell volume: 6102 ± 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: 0.176
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No