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Information card for entry 7053699
Preview
Coordinates | 7053699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H46 Er2 N4 O12 |
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Calculated formula | C66 H46 Er2 N4 O12 |
SMILES | c1ccc2c3[n]1[Er]1456([O]=C(O[Er]78([n]9cccc%10c9c9c(cc%10)ccc[n]79)([O]=C(O8)c7ccccc7)([O]=C(O5)c5ccccc5)(OC(=[O]6)c5ccccc5)[O]=C(O4)c4ccccc4)c4ccccc4)([n]4c3c(cc2)ccc4)[O]=C(O1)c1ccccc1 |
Title of publication | Crystal structure and near-infrared luminescence properties of novel binuclear erbium and erbium?ytterbium cocrystalline complexes |
Authors of publication | Song, Limei; Wang, Qi; Tang, Daihua; Liu, Xinhou; Zhen, Zhen |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 4 |
Pages of publication | 506 |
a | 10.7122 ± 0.0009 Å |
b | 11.9131 ± 0.001 Å |
c | 12.4072 ± 0.001 Å |
α | 105.252 ± 0.002° |
β | 93.448 ± 0.002° |
γ | 113.481 ± 0.002° |
Cell volume | 1376.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0281 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.065 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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