Information card for entry 4071138

Structure parameters

• 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 ų
• 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