Information card for entry 4306307

Structure parameters

• Formula: C62 H82 Au2 Cl4 F12 Mo4 O4 P4
• Calculated formula: C62 H82 Au2 Cl4 F12 Mo4 O4 P4
• SMILES: C(#[O])[Mo]12345(C#[O])([cH]6[cH]4[cH]3[cH]2[cH]16)[P]12[c]34[cH]6[cH]7[cH]8[cH]3[Mo]39%10%11%1224678([Au]24[P]6([c]78[cH]%13[cH]%14[cH]%15[cH]7[Mo]7%16%17%18%1968%13%14%15([Au]512)[c]1([cH]%19[c]%18([cH]%17[c]%16([cH]71)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mo]12564(C#[O])(C#[O])[cH]4[cH]6[cH]5[cH]2[cH]14)[c]1([cH]3[c]9([cH]%10[c]%11([cH]%121)C(C)(C)C)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 29.4219 ± 0.0008 Å
• b: 10.1898 ± 0.0002 Å
• c: 26.2038 ± 0.0007 Å
• α: 90°
• β: 116.1 ± 0.004°
• γ: 90°
• Cell volume: 7054.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No