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Information card for entry 4072365
Preview
Coordinates | 4072365.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H41 Br2 N4 O3 Sc |
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Calculated formula | C44 H41 Br2 N4 O3 Sc |
SMILES | [Sc]12([O]3CCCC3)(Br)(Br)=C3N(Cc4cccc(CN5C=CN(C=15)c1c(cc(cc1C)C)C)c24)C=CN3c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1 |
Title of publication | Tridentate CCC-Pincer Bis(carbene)-Ligated Rare-Earth Metal Dibromides. Synthesis and Characterization |
Authors of publication | Lv, Kui; Cui, Dongmei |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5438 |
a | 12.4102 ± 0.0011 Å |
b | 13.6661 ± 0.0013 Å |
c | 15.9836 ± 0.0015 Å |
α | 95.656 ± 0.002° |
β | 108.915 ± 0.002° |
γ | 109.094 ± 0.002° |
Cell volume | 2359 ± 0.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.1664 |
Residual factor for significantly intense reflections | 0.0916 |
Weighted residual factors for significantly intense reflections | 0.2765 |
Weighted residual factors for all reflections included in the refinement | 0.3227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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