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Information card for entry 7006083
Preview
Coordinates | 7006083.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H65 N2 O S2 Sc |
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Calculated formula | C44 H65 N2 O S2 Sc |
SMILES | [Sc]1(N(c2sccc2)c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)N(Cc2sccc12)c1c(cccc1C(C)C)C(C)C.CCCCCC |
Title of publication | Rare earth metal complexes bearing thiophene-amido ligand: synthesis and structural characterization. |
Authors of publication | Wang, Dun; Cui, Dongmei; Miao, Wei; Li, Shihui; Huang, Baotong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 40 |
Pages of publication | 4576 - 4581 |
a | 15.151 ± 0.0011 Å |
b | 14.986 ± 0.0011 Å |
c | 19.3443 ± 0.0014 Å |
α | 90° |
β | 93.24 ± 0.001° |
γ | 90° |
Cell volume | 4385.2 ± 0.6 Å3 |
Cell temperature | 187 ± 2 K |
Ambient diffraction temperature | 187 ± 2 K |
Number of distinct elements | 6 |
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 | 0.095 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1272 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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