Information card for entry 7040023

Structure parameters

• Formula: C19 H29 N5 Ni O4
• Calculated formula: C19 H29 N5 Ni O4
• SMILES: [Ni]123N(c4c(cccc4)N2C(=O)C(=O)N1C)C(=O)C(=[N]3C)OC(C)C.C[N+](C)(C)C
• Title of publication: Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.
• Authors of publication: Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13556 - 13564
• a: 15.8813 ± 0.0004 Å
• b: 24.8528 ± 0.0006 Å
• c: 10.6517 ± 0.0003 Å
• α: 90°
• β: 94.7164 ± 0.0015°
• γ: 90°
• Cell volume: 4189.93 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No