Information card for entry 4502117

Structure parameters

• Common name: 5,6-dichlorobenzo-2,1,3-telluradiazole
• Chemical name: 5,6-dichlorobenzo-2,1,3-telluradiazole
• Formula: C6 H2 Cl2 N2 Te
• Calculated formula: C6 H2 Cl2 N2 Te
• Title of publication: Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon
• Authors of publication: Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4959
• a: 7.5883 ± 0.0015 Å
• b: 7.7441 ± 0.0015 Å
• c: 28.008 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1645.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No