Information card for entry 7028315

Structure parameters

• Formula: C29 H39 N7 Ni2 O5
• Calculated formula: C26 H39 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: 9.242 ± 0.005 Å
• b: 12.795 ± 0.006 Å
• c: 13.63 ± 0.007 Å
• α: 81.581 ± 0.006°
• β: 75.409 ± 0.006°
• γ: 86.404 ± 0.006°
• Cell volume: 1542.4 ± 1.4 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: 0.1401
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.3396
• Weighted residual factors for all reflections included in the refinement: 0.3527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No