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Information card for entry 2021711
Preview
Coordinates | 2021711.cif |
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Structure factors | 2021711.hkl |
Original IUCr paper | HTML |
Chemical name | Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)gallium(III) nitrate ethanol monosolvate |
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Formula | C24 H28 Ga N3 O10 |
Calculated formula | C24 H28 Ga N3 O10 |
Title of publication | Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand |
Authors of publication | Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 8 |
a | 12.399 ± 0.005 Å |
b | 13.58 ± 0.005 Å |
c | 16.419 ± 0.005 Å |
α | 86.818 ± 0.005° |
β | 78.871 ± 0.005° |
γ | 66.124 ± 0.005° |
Cell volume | 2479.7 ± 1.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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216793 (current) | 2019-07-06 | cif/ hkl/ Adding structures of 2021710, 2021711 via cif-deposit CGI script. |
2021711.cif 2021711.hkl |
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Users of the data should acknowledge the original authors of the
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