Information card for entry 4068659

Structure parameters

• Formula: C10 H14 Br N Se
• Calculated formula: C10 H14 Br N Se
• SMILES: [Se]1(Br)=N([C@H](c2c1cccc2)C)(C)C
• Title of publication: Facile Cleavage of Organochalcogen Hybrid (NEEN, NEN, EN, where E = Se or Te) Ligand C−E and E−E Bonds by Pd(II)
• Authors of publication: Kaur, Rupinder; Menon, Saija C.; Panda, Snigdha; Singh, Harkesh B.; Patel, Rajan P.; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2363
• a: 10.815 ± 0.002 Å
• b: 9.021 ± 0.0018 Å
• c: 11.805 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1151.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No