Information card for entry 4306011

Structure parameters

• Formula: C36 H40 Cl4 Cu N4 O11
• Calculated formula: C36 H40 Cl4 Cu N4 O11
• SMILES: c1c(c2ccccc2)ccc2N(O[Cu]3([n]12)([OH2])[n]1c(ccc(c1)c1ccccc1)N(O3)C(C)(C)C)C(C)(C)C.[O-]Cl(=O)(=O)=O.c1(ccccc1Cl)Cl.[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: 20.637 ± 0.017 Å
• b: 7.641 ± 0.003 Å
• c: 15.541 ± 0.008 Å
• α: 90°
• β: 128.918 ± 0.003°
• γ: 90°
• Cell volume: 1907 ± 2 ų
• Cell temperature: 90 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No