Information card for entry 4311720

Structure parameters

• Formula: C52 H38 Cu2 N6 O8 S2
• Calculated formula: C52 H38 Cu2 N6 O8 S2
• SMILES: c12c(ccc3ccccc13)[N]1[Cu]3([NH2]c4c2c2ccccc2cc4)(OS(=O)(=O)O[Cu]24([N](c5c(c6ccccc6cc5)c5c(ccc6ccccc56)[NH2]4)=Cc4cccc[n]24)OS(=O)(=O)O3)[n]2c(C=1)cccc2
• 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: 18.5934 ± 0.0007 Å
• b: 18.5934 ± 0.0007 Å
• c: 16.2207 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4856.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No