Information card for entry 1518823

Structure parameters

• Chemical name: 05b
• Formula: C43 H40 Au B Mn O2 P
• Calculated formula: C43 H40 Au B Mn O2 P
• SMILES: [Mn]12345([Au]([B]1(C(C)(C)C)C#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[cH]1[cH]2[cH]5[cH]4[cH]31.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: 41.848 ± 0.008 Å
• b: 10.898 ± 0.002 Å
• c: 15.941 ± 0.003 Å
• α: 90°
• β: 91.024 ± 0.009°
• γ: 90°
• Cell volume: 7269 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No