Information card for entry 7000728

Structure parameters

• Formula: C24 H25 N6 Na O8 S2
• Calculated formula: C24 H25 N6 Na O8 S2
• SMILES: S(=O)(=O)([O-])c1ccc(N=Nc2ccc(N)cc2)cc1.S(=O)(=O)(c1ccc(N=Nc2ccc([NH3+])cc2)cc1)[O-].[Na+].O.O
• 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: 33.554 ± 0.015 Å
• b: 11.965 ± 0.004 Å
• c: 14.577 ± 0.005 Å
• α: 90°
• β: 115.3 ± 0.004°
• γ: 90°
• Cell volume: 5291 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No