Information card for entry 4332918

Structure parameters

• Formula: C51 H49 Ag3 I N3 O P4 Se4 W
• Calculated formula: C51 H49 Ag3 I N3 O P4 Se4 W
• SMILES: [W]12([Se][Ag]3[Se]14[Ag]1([I][Ag]4([Se]2)[P](N[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](N[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)=[Se].N(C=O)(C)C
• Title of publication: Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands
• Authors of publication: Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8638 - 8647
• a: 18.553 ± 0.004 Å
• b: 14.078 ± 0.003 Å
• c: 21.755 ± 0.004 Å
• α: 90°
• β: 98.84 ± 0.03°
• γ: 90°
• Cell volume: 5615 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No