Information card for entry 2203149

Structure parameters

• Formula: C36 H44 Cu2 N12 O12
• Calculated formula: C36 H28 Cu2 N12 O12
• Title of publication: A neutral macrocyclic binuclear copper(II) complex of the deprotonated form of the ligand <i>N,N</i>'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide
• Authors of publication: Dilovan S. Cati; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m180 - m182
• a: 9.3201 ± 0.001 Å
• b: 9.9743 ± 0.0012 Å
• c: 11.8877 ± 0.0013 Å
• α: 114.331 ± 0.013°
• β: 90.178 ± 0.013°
• γ: 100.199 ± 0.013°
• Cell volume: 987.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No