Information card for entry 4326000

Structure parameters

• Formula: C36 H30 Cl2 Cu2 N8 O10
• Calculated formula: C36 H30 Cl2 Cu2 N8 O10
• Title of publication: Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction
• Authors of publication: Oindrila Das; Ennio Zangrando; Tapan Kanti Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8012 - 8019
• a: 23.147 ± 0.003 Å
• b: 24.849 ± 0.004 Å
• c: 13.631 ± 0.003 Å
• α: 90°
• β: 91.521 ± 0.015°
• γ: 90°
• Cell volume: 7838 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No