Information card for entry 1517761

Structure parameters

• Formula: C9 H14 N2 Se2
• Calculated formula: C9 H14 N2 Se2
• SMILES: [Se](c1nc([Se]C)cc(N(C)C)c1)C
• Title of publication: Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine
• Authors of publication: Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 160 - 166
• a: 5.853 ± 0.0003 Å
• b: 12.4563 ± 0.0006 Å
• c: 15.4425 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1125.86 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No