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Information card for entry 7052548
Preview
Coordinates | 7052548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 Br2 Cl6 Gd2 N4 O8 |
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Calculated formula | C32 H38 Br2 Cl6 Gd2 N4 O8 |
SMILES | C[O]1c2cc(cc(c2[OH][Gd]21([OH]C)([OH]C)(Cl)(Cl)[Cl][Gd]1([O](C)c3cc(cc(c3[OH]1)c1[nH]c3ccccc3n1)Br)([OH]C)([OH]C)(Cl)(Cl)[Cl]2)c1[nH]c2ccccc2n1)Br |
Title of publication | Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding |
Authors of publication | Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 310 |
a | 12.326 ± 0.003 Å |
b | 23.037 ± 0.005 Å |
c | 7.3627 ± 0.0015 Å |
α | 90° |
β | 98.52 ± 0.03° |
γ | 90° |
Cell volume | 2067.6 ± 0.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1024 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.1942 |
Weighted residual factors for all reflections included in the refinement | 0.2085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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