Information card for entry 7051065

Structure parameters

• Formula: C54.5 H45 Ag2 Cl P3 Se4 W
• Calculated formula: C54.5 H45 Ag2 Cl P3 Se4 W
• Title of publication: Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals
• Authors of publication: Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 465
• a: 17.921 ± 0.007 Å
• b: 17.472 ± 0.003 Å
• c: 18.196 ± 0.007 Å
• α: 90°
• β: 95.86 ± 0.02°
• γ: 90°
• Cell volume: 5668 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1614
• Weighted residual factors for significantly intense reflections: 0.112
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No