Information card for entry 7028314

Structure parameters

• Formula: C23 H33 N7 Ni2 O5
• Calculated formula: C23 H33 N7 Ni2 O5
• Title of publication: A radical pathway in catecholase activity with nickel(II) complexes of phenol based "end-off" compartmental ligands.
• Authors of publication: Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 841 - 852
• a: 9.4253 ± 0.0005 Å
• b: 12.6299 ± 0.0007 Å
• c: 13.0653 ± 0.0007 Å
• α: 100.035 ± 0.002°
• β: 96.381 ± 0.002°
• γ: 111.476 ± 0.002°
• Cell volume: 1398.96 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No