Information card for entry 7012306

Structure parameters

• Formula: C45 H53 Au Mo O5 P2 S2 W
• Calculated formula: C45 H51 Au Mo O5 P2 S2 W
• SMILES: [Au]([W]24([S]3[Mo]67([S]2[C]34=P(C1CCCCC1)(C1CCC=CC1)C1CCCCC1)(C#[O])(C#[O])[CH2]=[CH]6C7)(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of asymmetric heterotrimetallic gold clusters containing Mo, W, and Mn
• Authors of publication: Wang, Mei; Miguel, Daniel; López, Eva M.; Pérez, Julio; Riera, Víctor; Bois, Claudette; Jeannin, Yves
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 961
• a: 12.213 ± 0.002 Å
• b: 12.867 ± 0.003 Å
• c: 15.503 ± 0.004 Å
• α: 92.61 ± 0.09°
• β: 111.38 ± 0.09°
• γ: 91.13 ± 0.08°
• Cell volume: 2264.5 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 1.4752
• Goodness-of-fit parameter for significantly intense reflections: 1.4752
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No