Information card for entry 7000737

Structure parameters

• Formula: C60 H54 Ho N13 O13 S3
• Calculated formula: C60 H40 Ho N13 O13 S3
• SMILES: [Ho]12([OH2])(OS(=O)(=O)c3ccc(N=Nc4ccc(N)cc4)cc3)(OS(=O)(=O)c3ccc(N=Nc4ccc(N)cc4)cc3)(OS(=O)(=O)c3ccc(N=Nc4ccc(N)cc4)cc3)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.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: 39.773 ± 0.013 Å
• b: 10.995 ± 0.003 Å
• c: 30.39 ± 0.01 Å
• α: 90°
• β: 117.052 ± 0.004°
• γ: 90°
• Cell volume: 11836 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No