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Information card for entry 4081345
Preview
Coordinates | 4081345.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H56 N2 O4 Sr |
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Calculated formula | C34 H56 N2 O4 Sr |
SMILES | [Sr]123(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O](CC[O]2C)C)[O](CC[O]3C)C |
Title of publication | Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity |
Authors of publication | Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4636 |
a | 9.86 ± 0.002 Å |
b | 17.602 ± 0.004 Å |
c | 20.31 ± 0.004 Å |
α | 90° |
β | 91.72 ± 0.03° |
γ | 90° |
Cell volume | 3523.3 ± 1.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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