Information card for entry 4325998

Structure parameters

• Formula: C20 H35 Cl2 Cu N7 O8
• Calculated formula: C20 H35 Cl2 Cu N7 O8
• 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: 9.72 ± 0.003 Å
• b: 16.343 ± 0.006 Å
• c: 18.657 ± 0.006 Å
• α: 71.354 ± 0.008°
• β: 79.046 ± 0.009°
• γ: 79.586 ± 0.009°
• Cell volume: 2734 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No