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Information card for entry 4069719
Preview
Coordinates | 4069719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 I Mo N2 O2 |
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Calculated formula | C23 H25 I Mo N2 O2 |
SMILES | [Mo]12345(=C6N(C=CN6C(c6ccccc6)C[c]61[c]2([c]3([c]4([c]56C)C)C)C)C)(I)(C#[O])C#[O] |
Title of publication | Molybdenum(II) Complexes Containing Cyclopentadienyl-Functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Application in Olefin Epoxidation |
Authors of publication | Kandepi, V. V. Krishna Mohan; da Costa, André Pontes; Peris, Eduardo; Royo, Beatriz |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 15 |
Pages of publication | 4544 |
a | 8.814 ± 0.0001 Å |
b | 24.8321 ± 0.0004 Å |
c | 10.2167 ± 0.0002 Å |
α | 90° |
β | 95.382 ± 0.001° |
γ | 90° |
Cell volume | 2226.27 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0516 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069719.html
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Users of the data should acknowledge the original authors of the
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