Information card for entry 7012305

Structure parameters

• Formula: C45 H53 Au Mo2 O5 P2 S2
• Calculated formula: C45 H53 Au Mo2 O5 P2 S2
• SMILES: [Mo]12([Au][P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]3[Mo]45([S]2[C]31=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])[CH2]=[CH]4C5)(C#[O])(C#[O])C#[O]
• 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: 12.2628 ± 0.0009 Å
• b: 12.867 ± 0.001 Å
• c: 15.5143 ± 0.0011 Å
• α: 92.635 ± 0.002°
• β: 111.335 ± 0.001°
• γ: 91.071 ± 0.002°
• Cell volume: 2276.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No