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Information card for entry 4331498
Preview
Coordinates | 4331498.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H16 Be N2 O2 S2 |
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Calculated formula | C26 H16 Be N2 O2 S2 |
SMILES | [n]12c(sc3ccccc13)c1c(O[Be]32[n]2c(sc4ccccc24)c2c(O3)cccc2)cccc1 |
Title of publication | Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands |
Authors of publication | Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Journal issue | 12 |
Pages of publication | 4270 - 4275 |
a | 24.525 ± 0.0017 Å |
b | 12.0583 ± 0.0008 Å |
c | 14.7963 ± 0.001 Å |
α | 90° |
β | 93.414 ± 0.001° |
γ | 90° |
Cell volume | 4367.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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