Information card for entry 4330444

Structure parameters

• Formula: C26 H42 Cl2 Cu2 N4 O10
• Calculated formula: C26 H42 Cl2 Cu2 N4 O10
• SMILES: [Cu]123([O](c4ccccc4C[NH]2CC[N]1(CC)CC)[Cu]12(OCl(=O)(=O)=O)[O]3c3ccccc3C[NH]1CC[N]2(CC)CC)OCl(=O)(=O)=O
• Title of publication: Insertion of a Hydroxido Bridge into a Diphenoxido Dinuclear Copper(II) Complex: Drastic Change of the Magnetic Property from Strong Antiferromagnetic to Ferromagnetic and Enhancement in the Catecholase Activity
• Authors of publication: Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Carmen Diaz; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10111 - 10121
• a: 39.388 ± 0.002 Å
• b: 8.701 ± 0.0005 Å
• c: 18.2535 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6255.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No