Information card for entry 7026391

Structure parameters

• Formula: C42 H42 Cl2 Cu N6 O8
• Calculated formula: C42 H42 Cl2 Cu N6 O8
• Title of publication: Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.
• Authors of publication: Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8741 - 8747
• a: 13.1075 ± 0.0003 Å
• b: 13.1075 ± 0.0003 Å
• c: 50.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8696 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.2593
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No