Information card for entry 7062300

Structure parameters

• Formula: C27 H32 N8 Ni2 O3
• Calculated formula: C27 H32 N8 Ni2 O3
• Title of publication: Tailor-made isostructural copper(ii) and nickel(ii) complexes with a newly designed (N,N)-donor scaffold as functional mimics of alkaline phosphatase
• Authors of publication: Kundu, Subhankar; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5894 - 5902
• a: 9.6002 ± 0.0003 Å
• b: 11.8988 ± 0.0004 Å
• c: 13.1563 ± 0.0004 Å
• α: 94.616 ± 0.003°
• β: 108.689 ± 0.003°
• γ: 104.652 ± 0.003°
• Cell volume: 1355.75 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0586
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No