Information card for entry 7109942

Structure parameters

• Formula: C29 H47 Au B Cl Mn O2 P
• Calculated formula: C29 H47 Au B Cl Mn O2 P
• SMILES: [Au]1([Mn]2345(C#[O])(C#[O])([B]1(Cl)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: sigma-coordination of metal-boryl bonds to gold(I)
• Authors of publication: Holger Braunschweig; Krzysztof Radacki; Rong Shang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9905
• a: 14.0823 ± 0.0005 Å
• b: 15.4623 ± 0.0006 Å
• c: 14.7133 ± 0.0005 Å
• α: 90°
• β: 112.001 ± 0.001°
• γ: 90°
• Cell volume: 2970.44 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0572
• 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