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Information card for entry 4325258
Preview
Coordinates | 4325258.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H26 Mo N4 O3 |
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Calculated formula | C23 H26 Mo N4 O3 |
SMILES | [Mo]12([n]3ccccc3C[N]31CCC[C@@H]3[C@@H]1[N]2(CCC1)Cc1ncccc1)(C#[O])(C#[O])C#[O] |
Title of publication | Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents |
Authors of publication | Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4677 - 4679 |
a | 8.3435 ± 0.0003 Å |
b | 15.097 ± 0.0005 Å |
c | 8.7707 ± 0.0003 Å |
α | 90° |
β | 99.007 ± 0.002° |
γ | 90° |
Cell volume | 1091.15 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0204 |
Residual factor for significantly intense reflections | 0.0198 |
Weighted residual factors for significantly intense reflections | 0.0462 |
Weighted residual factors for all reflections included in the refinement | 0.0464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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