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Information card for entry 4071138
Preview
Coordinates | 4071138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 Cl2 Fe3 N2 O8 Te2 |
---|---|
Calculated formula | C22 H20 Cl2 Fe3 N2 O8 Te2 |
SMILES | C12C3(C[N]4(C[N](C3)(C)[Fe]14(C#[O])(C#[O])[Te]1[Fe]3(C#[O])(C#[O])(C#[O])[Fe]1(C#[O])(C#[O])(C#[O])[Te]23)C)c1ccccc1.C(Cl)Cl |
Title of publication | Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se) |
Authors of publication | Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 19 |
Pages of publication | 5094 |
a | 9.8877 ± 0.0002 Å |
b | 13.3922 ± 0.0003 Å |
c | 22.1362 ± 0.0005 Å |
α | 90° |
β | 91.621 ± 0.002° |
γ | 90° |
Cell volume | 2930.06 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
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/4071138.html
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Users of the data should acknowledge the original authors of the
structural data.