Information card for entry 7026357

Structure parameters

• Formula: C10 H12 Cu N10 O8
• Calculated formula: C10 H12 Cu N10 O8
• SMILES: [Cu]12(ON(=O)=O)([n]3cccnc3C(=[N]1O)N)[n]1cccnc1C(=[N]2O)N.O=N(=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: 7.0434 ± 0.0002 Å
• b: 8.7481 ± 0.0003 Å
• c: 13.6485 ± 0.0004 Å
• α: 98.392 ± 0.002°
• β: 92.024 ± 0.002°
• γ: 97.262 ± 0.001°
• Cell volume: 824.05 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No