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Information card for entry 7700504
Preview
Coordinates | 7700504.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H80 Cl6 Mo2 N24 O37 |
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Calculated formula | C36 H72 Cl6 Mo2 N24 O37 |
Title of publication | A hydrogen-bonded assembly of cucurbit[6]uril and [MoO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] with catalytic efficacy for the one-pot conversion of olefins to alkoxy products. |
Authors of publication | Nogueira, Lucie S.; Antunes, Margarida M.; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Lopes, André D; Valente, Anabela A.; Gonçalves, Isabel S |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 30 |
Pages of publication | 11508 - 11519 |
a | 11.5039 ± 0.0011 Å |
b | 11.9145 ± 0.001 Å |
c | 14.6279 ± 0.0013 Å |
α | 74.687 ± 0.004° |
β | 68.753 ± 0.004° |
γ | 87.232 ± 0.004° |
Cell volume | 1799.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0326 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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