Information card for entry 1518824

Structure parameters

• Chemical name: 05c
• Formula: C30 H29 Au B Mn N O2 P S
• Calculated formula: C30 H29 Au B Mn N O2 P S
• SMILES: [Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Mn]2345(C#[O])(C#[O])([B]1(C(C)(C)C)N=C=S)[cH]1[cH]2[cH]5[cH]4[cH]31
• 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: 13.491 ± 0.002 Å
• b: 13.559 ± 0.002 Å
• c: 16.412 ± 0.002 Å
• α: 90°
• β: 101.959 ± 0.015°
• γ: 90°
• Cell volume: 2937 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No