Information card for entry 4305182

Structure parameters

• Formula: C14 H19 N5 Ni O8
• Calculated formula: C14 H19 N5 Ni O8
• SMILES: c1cccc2CC[N]3(CCc4cccc[n]4[Ni]43([n]12)(ON(=[O]4)=O)[OH2])O.N(=O)(=O)[O-]
• Title of publication: Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine
• Authors of publication: Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7114 - 7120
• a: 7.925 ± 0.006 Å
• b: 9.977 ± 0.007 Å
• c: 12.264 ± 0.009 Å
• α: 90°
• β: 103.559 ± 0.012°
• γ: 90°
• Cell volume: 942.7 ± 1.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No