Information card for entry 4328503

Structure parameters

• Formula: C37 H42 Br3 N3 O Te
• Calculated formula: C37 H42 Br3 N3 O Te
• SMILES: [Te]1(Br)(Br)(Br)[n]2c(/C(=N/c3c(C(C)C)cccc3C(C)C)C1)cccc2/C(=N/c1c(C(C)C)cccc1C(C)C)C.O1CCCC1
• Title of publication: Reactions of Diiminopyridine Ligands with Chalcogen Halides
• Authors of publication: Caleb D. Martin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2947 - 2953
• a: 10.592 ± 0.002 Å
• b: 14.103 ± 0.003 Å
• c: 26.737 ± 0.007 Å
• α: 90°
• β: 104.43 ± 0.03°
• γ: 90°
• Cell volume: 3867.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No