Information card for entry 4000975

Structure parameters

• Formula: C11 H44 In6 N11 Te9
• Calculated formula: C10 H38 In6 N10 Te9
• Title of publication: A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation
• Authors of publication: Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 12
• a: 11.6147 ± 0.0002 Å
• b: 11.6147 ± 0.0002 Å
• c: 51.9135 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6064.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No