Information card for entry 4306306

Structure parameters

• Formula: C35 H49 Au Cl2 F6 Mo2 O2 P2 S
• Calculated formula: C35 H49 Au Cl2 F6 Mo2 O2 P2 S
• SMILES: [Mo]12345([Au]([P]61[Mo]1789%10%11%12%13%14([cH]%15[cH]9[cH]8[cH]7[cH]1%15)[c]16[c]%10([cH]%11[c]%12([cH]%13[c]%141C(C)(C)C)C(C)(C)C)C(C)(C)C)[S]1CCCC1)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Aurophilic Self-Assembly of a Mo4Au2 Phosphinidene Complex with an Unprecedented H-Shaped Planar Metal Core
• Authors of publication: M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7963 - 7965
• a: 8.5381 ± 0.0002 Å
• b: 26.1255 ± 0.0005 Å
• c: 19.6161 ± 0.0001 Å
• α: 90°
• β: 112.056 ± 0.001°
• γ: 90°
• Cell volume: 4055.39 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No