Information card for entry 4306010

Structure parameters

• Formula: C32 H38 Cl6 Cu N4 O10
• Calculated formula: C32 H38 Cl6 Cu N4 O10
• SMILES: O(Cl(=O)(=O)=O)[Cu]12([n]3c(N(O1)C(C)(C)C)ccc(c3)c1ccccc1)([n]1c(ccc(c1)c1ccccc1)N(O2)C(C)(C)C)OCl(=O)(=O)=O.ClCCl.C(Cl)Cl
• 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: 9.1578 ± 0.0002 Å
• b: 11.1366 ± 0.0015 Å
• c: 11.2967 ± 0.0013 Å
• α: 65.765 ± 0.005°
• β: 87.145 ± 0.007°
• γ: 68.691 ± 0.005°
• Cell volume: 972.04 ± 0.18 ų
• Cell temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No