Information card for entry 7716740

Structure parameters

• Formula: C40 H49 N4 Ni O2
• Calculated formula: C40 H49 N4 Ni O2
• Title of publication: Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.
• Authors of publication: Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 14046 - 14064
• a: 9.6539 ± 0.0007 Å
• b: 11.1929 ± 0.0008 Å
• c: 17.3192 ± 0.0012 Å
• α: 71.713 ± 0.002°
• β: 81.597 ± 0.002°
• γ: 89.058 ± 0.002°
• Cell volume: 1757 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No