Information card for entry 4116226

Structure parameters

• Formula: C23 H34 Cd N2 S7
• Calculated formula: C23 H34 Cd N2 S7
• Title of publication: A New Method to Synthesize Unsymmetrical Dithiolene Metal Complexes of 1,3-Dithiole-2-thione-4,5-dithiolate for Third-Order Nonlinear Optical Applications
• Authors of publication: Jie Dai; Guo-Qing Bian; Xin Wang; Qing-Feng Xu; Min-Yan Zhou; Megumu Munakata; Masahiko Maekawa; Ming-Hong Tong; Zhen-Rong Sun; He-Ping Zeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11007 - 11008
• a: 9.534 ± 0.003 Å
• b: 10.626 ± 0.002 Å
• c: 15.079 ± 0.003 Å
• α: 90°
• β: 91.75 ± 0.02°
• γ: 90°
• Cell volume: 1526.9 ± 0.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No