Information card for entry 4311721

Structure parameters

• Formula: C56 H54 Cu2 N6 O12 S2
• Calculated formula: C56 H54 Cu2 N6 O12 S2
• SMILES: c12c(ccc3ccccc13)[N]1[Cu]3([NH2]c4c2c2ccccc2cc4)([n]2c(C=1)cccc2)OS(=O)(=O)O[Cu]12([N](c4c(c5ccccc5cc4)c4c(ccc5ccccc45)[NH2]2)=Cc2cccc[n]12)OS(=O)(=O)O3.CO.OC.CO.CO
• Title of publication: Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine
• Authors of publication: Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6168 - 6176
• a: 17.6884 ± 0.0011 Å
• b: 8.5915 ± 0.0005 Å
• c: 18.7066 ± 0.0011 Å
• α: 90°
• β: 115.466 ± 0.001°
• γ: 90°
• Cell volume: 2566.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No