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Information card for entry 7027917
Preview
Coordinates | 7027917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H15 N3 O5 S |
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Calculated formula | C12 H15 N3 O5 S |
SMILES | S(=O)(=O)([O-])c1ccc(cc1)N=Nc1ccc(cc1)[NH3+].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 | 8.049 ± 0.004 Å |
b | 11.47 ± 0.005 Å |
c | 16.228 ± 0.008 Å |
α | 85.964 ± 0.015° |
β | 84.38 ± 0.014° |
γ | 70.814 ± 0.013° |
Cell volume | 1407 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1566 |
Weighted residual factors for all reflections included in the refinement | 0.2009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7000727 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027917.html
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