Information card for entry 7000731

Structure parameters

• Formula: C24 H24 Cu N6 O8 S2
• Calculated formula: C24 H24 Cu N6 O8 S2
• Title of publication: Systematic investigation on the coordination chemistry of a sulfonated monoazo dye: Ligand-dominated d- and f-block derivatives
• Authors of publication: Lü, Jian; Gao, Shui-Ying; Lin, Jing-Xiang; Shi, Lin-Xi; Cao, Rong; Batten, Stuart R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1944 - 1953
• a: 5.933 ± 0.002 Å
• b: 6.985 ± 0.002 Å
• c: 15.325 ± 0.006 Å
• α: 102.104 ± 0.01°
• β: 98.278 ± 0.013°
• γ: 95.67 ± 0.01°
• Cell volume: 609 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No