Information card for entry 7101555

Structure parameters

• Formula: C33 H42 Cl3 N3 Te
• Calculated formula: C33 H42 Cl3 N3 Te
• SMILES: CC1=[N](c2c(cccc2C(C)C)C(C)C)[Te]2(C/C(=N\c3c(cccc3C(C)C)C(C)C)c3cccc1[n]23)(Cl)(Cl)Cl
• Title of publication: Direct reactions of tellurium tetrahalides with chelating nitrogen ligands: Trapping of TeI2 and C-H activation of an a,a'-diiminopyridine (DIMPY) Ligand
• Authors of publication: Alan H. Cowley; Gregor Reeske
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 46
• a: 14.91 ± 0.003 Å
• b: 14.05 ± 0.003 Å
• c: 21.163 ± 0.004 Å
• α: 90°
• β: 100.93 ± 0.03°
• γ: 90°
• Cell volume: 4352.9 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No