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Information card for entry 7027170
Preview
Coordinates | 7027170.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 B Gd N11 O7 |
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Calculated formula | C27 H27 B Gd N11 O7 |
SMILES | [Gd]123456([n]7n([BH](n8[n]2c(cc8)c2[n]3c(ccc2)C)n2[n]4c(cc2)c2nc(ccc2)C)ccc7c2[n]1c(ccc2)C)(ON(=O)=[O]5)(ON(=O)=[O]6)[OH2] |
Title of publication | Lanthanide complexes of a new sterically hindered potentially hexadentate podand ligand based on a tris(pyrazolyl)borate core; crystal structures, solution structures and luminescence properties |
Authors of publication | Reeves, Zoe R.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Barigelletti, Francesco; Armaroli, Nicola |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 3 |
Pages of publication | 349 |
a | 10.87 ± 0.002 Å |
b | 16.4827 ± 0.0013 Å |
c | 18.996 ± 0.002 Å |
α | 70.356 ± 0.007° |
β | 82.054 ± 0.008° |
γ | 73.9 ± 0.013° |
Cell volume | 3075.8 ± 0.7 Å3 |
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 | 0.0301 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for all reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.0557 |
Goodness-of-fit parameter for all reflections | 0.916 |
Goodness-of-fit parameter for significantly intense reflections | 0.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.