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Information card for entry 7103939
Preview
Coordinates | 7103939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H34 I N6 O2 Rh |
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Calculated formula | C22 H34 I N6 O2 Rh |
SMILES | [Rh]12(I)([O]=C(O1)C)(=C1N(N=CN1CCCC)CN1N=CN(C=21)CCCC)[C@H]1C2C[C@H]3C1[C@H]3C2.[Rh]12(I)([O]=C(O1)C)(=C1N(N=CN1CCCC)CN1N=CN(C=21)CCCC)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 |
Title of publication | A methylene-bis-triazolium ligand precursor in an unusual rearrangement of norbornadiene to nortricyclyl |
Authors of publication | Mata, Jose A.; Peris, Eduardo; Incarvito, Christopher; Crabtree, Robert H. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 2 |
Pages of publication | 184 - 185 |
a | 8.5969 ± 0.0017 Å |
b | 12.062 ± 0.002 Å |
c | 13.182 ± 0.003 Å |
α | 84.79 ± 0.03° |
β | 80.1 ± 0.03° |
γ | 82.72 ± 0.03° |
Cell volume | 1332.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0911 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1054 |
Weighted residual factors for all reflections included in the refinement | 0.1335 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.815 |
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/7103939.html
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