Information card for entry 1557309

Structure parameters

• Common name: [Cu(3L)(biPy)(EtOH)][Cu(3L)(ClO4)(biPy)(EtOH)]ClO4
• Formula: C36 H40 Cl2 Cu2 N10 O18
• Calculated formula: C12 Cl Cu2 N6 O11
• SMILES: [Cu]12(N(=O)=CC=[O]1)([OH]CC)([OH2])[NH2]CC[NH2]2.[Cu]12(N(=O)=CC=[O]1)([OH]CC)[NH2]CC[NH2]2.[Cl-].O.O.O.O
• Title of publication: Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study
• Authors of publication: Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 1051 - 1057
• a: 16.187 ± 0.009 Å
• b: 12.811 ± 0.007 Å
• c: 21.501 ± 0.009 Å
• α: 90°
• β: 101.18 ± 0.04°
• γ: 90°
• Cell volume: 4374 ± 4 ų
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No