Information card for entry 4332917

Structure parameters

• Formula: C36 H66 Ag2 P2 Se4 W
• Calculated formula: C36 H66 Ag2 P2 Se4 W
• SMILES: [W]12([Se][Ag]([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[Se]1)[Se][Ag]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Se]2
• 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: 11.3322 ± 0.0012 Å
• b: 17.113 ± 0.0018 Å
• c: 23.541 ± 0.003 Å
• α: 86.761 ± 0.005°
• β: 77.665 ± 0.006°
• γ: 82.548 ± 0.006°
• Cell volume: 4420.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No