Information card for entry 4317538

Structure parameters

• Formula: C24 H31 Cl2 N5 Ni O8
• Calculated formula: C24 H31 Cl2 N5 Ni O8
• SMILES: [Ni]1234[n]5ccccc5CC[N]3(CC[N]4(CCc3[n]1cccc3)CCc1[n]2cccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Nickel(II) Complexes with Tetra- and Pentadentate Aminopyridine Ligands: Synthesis, Structure, Electrochemistry, and Reduction to Nickel(I) Species
• Authors of publication: Sergey V. Kryatov; B. Sharmila Mohanraj; Vladislav V. Tarasov; Olga P. Kryatova; Elena V. Rybak-Akimova; Bharathi Nuthakki; James F. Rusling; Richard J. Staples; Alexander Y. Nazarenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 923 - 930
• a: 40.638 ± 0.019 Å
• b: 7.6872 ± 0.0007 Å
• c: 40.183 ± 0.013 Å
• α: 90°
• β: 118.8 ± 0.03°
• γ: 90°
• Cell volume: 11000 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No