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Information card for entry 4083346
Preview
Coordinates | 4083346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H44 F12 K2 N2 O10 |
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Calculated formula | C28 H44 F12 K2 N2 O10 |
SMILES | [K]12345678[N]9(CC[O]2CC[O]4CC[O]1CC[O]3CC9)CC1([O]5[K]23459%10([F]C1([F]6)F)[N]1(CC[O]72CC[O]3CC[O]4CC[O]5CC1)CC([O]89)(C([F]%10)(F)F)C(F)(F)F)C(F)(F)F |
Title of publication | Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity |
Authors of publication | Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5630 |
a | 11.9742 ± 0.0002 Å |
b | 16.6795 ± 0.0004 Å |
c | 18.842 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3763.19 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083346.html
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Users of the data should acknowledge the original authors of the
structural data.