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Information card for entry 4071988
Preview
Coordinates | 4071988.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H38 Br Li Mn2 N4 O10 |
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Calculated formula | C28 H38 Br Li Mn2 N4 O10 |
SMILES | [Br]1[Mn]2(C#[O])(C#[O])(C#[O])n3[n]([Mn]1(C#[O])(C#[O])(C#[O])[n]1n2ccc1)ccc3.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br] |
Authors of publication | Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 19 |
Pages of publication | 5067 |
a | 9.8143 ± 0.0007 Å |
b | 13.4117 ± 0.0011 Å |
c | 14.9784 ± 0.0012 Å |
α | 88.404 ± 0.006° |
β | 75.817 ± 0.006° |
γ | 69.459 ± 0.006° |
Cell volume | 1786.3 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1183 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071988.html
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