Information card for entry 7051064

Structure parameters

• Formula: C36 H30 Au2 P2 Se4 W
• Calculated formula: C36 H31 Au2 P2 Se4 W
• SMILES: [W]1234([Au]([Se]1)([Se]2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]([Se]3)([Se]4)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.593 ± 0.002 Å
• b: 10.825 ± 0.002 Å
• c: 19.936 ± 0.004 Å
• α: 89.54 ± 0.03°
• β: 80.41 ± 0.03°
• γ: 68.45 ± 0.03°
• Cell volume: 1895.4 ± 0.8 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: 0.0713
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.1452
• Weighted residual factors for significantly intense reflections: 0.1213
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No