Information card for entry 7013927

Structure parameters

• Formula: C37 H29.5 Cu3 N15.5 O8.5
• Calculated formula: C37 H28.5 Cu3 N15.5 O8.5
• Title of publication: New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.
• Authors of publication: Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 862 - 871
• a: 10.9969 ± 0.0014 Å
• b: 18.98 ± 0.003 Å
• c: 20.125 ± 0.003 Å
• α: 101.014 ± 0.002°
• β: 101.375 ± 0.002°
• γ: 99.055 ± 0.002°
• Cell volume: 3958.2 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1831
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No