Information card for entry 4306009

Structure parameters

• Formula: C30 H38 Cl2 N4 Ni O12
• Calculated formula: C30 H38 Cl2 N4 Ni O12
• SMILES: c12N(O[Ni]3([n]2cc(cc1)c1ccccc1)([OH2])([OH2])[n]1c(N(O3)C(C)(C)C)ccc(c1)c1ccccc1)C(C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Magneto-Structure Relationship in Copper(II) and Nickel(II) Complexes Chelated with Stabletert-Butyl 5-Phenyl-2-pyridyl Nitroxide and Related Radicals
• Authors of publication: Atsushi Okazawa; Yasunori Nagaichi; Takashi Nogami; Takayuki Ishida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8859 - 8868
• a: 11.5278 ± 0.0007 Å
• b: 15.7492 ± 0.001 Å
• c: 18.782 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3409.9 ± 0.4 ų
• Cell temperature: 104 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No