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Information card for entry 4072853
Preview
Coordinates | 4072853.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H35 B2 K N2 O |
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Calculated formula | C24 H35 B2 K N2 O |
SMILES | [K][O]1CCCC1.N1(N(C(C)C)B(C(=[B]1c1ccccc1)C)c1ccccc1)C(C)C |
Title of publication | Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes |
Authors of publication | Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 7 |
Pages of publication | 1750 |
a | 6.055 ± 0.001 Å |
b | 17.628 ± 0.005 Å |
c | 22.867 ± 0.006 Å |
α | 90° |
β | 96.504 ± 0.016° |
γ | 90° |
Cell volume | 2425.1 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0421 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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