Information card for entry 1518822

Structure parameters

• Chemical name: 05a
• Formula: C35 H34 Au B Mn O2 P
• Calculated formula: C35 H34 Au B Mn O2 P
• SMILES: [Au]1([B]([Mn]23451(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]2[cH]51)(C(C)(C)C)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2989
• a: 10.071 ± 0.004 Å
• b: 11.844 ± 0.004 Å
• c: 13.4 ± 0.005 Å
• α: 86.394 ± 0.011°
• β: 79.387 ± 0.018°
• γ: 74.371 ± 0.012°
• Cell volume: 1512.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0161
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No