Information card for entry 1540183

Structure parameters

• Formula: C28 H20 Au2 B2 Mn4 O8
• Calculated formula: C28 H20 Au2 B2 Mn4 O8
• SMILES: [Au]12345[Au]678([Mn]9%10%11%12(C#[O])(C#[O])([cH]%13[cH]9[cH]%10[cH]%11[cH]%12%13)[B]58[Mn]589%102(C#[O])(C#[O])[cH]2[cH]5[cH]8[cH]9[cH]%102)[Mn]2589(C#[O])(C6=O)([cH]6[cH]9[cH]8[cH]5[cH]26)[B]47[Mn]24561(C#[O])(C3=O)[cH]1[cH]6[cH]5[cH]4[cH]21
• Title of publication: Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 109
• a: 17.4662 ± 0.0013 Å
• b: 12.1607 ± 0.0009 Å
• c: 15.4013 ± 0.0018 Å
• α: 90°
• β: 119.822 ± 0.002°
• γ: 90°
• Cell volume: 2838.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0195
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No