Information card for entry 7109941

Structure parameters

• Formula: C29 H29 Au B Cl Mn O2 P
• Calculated formula: C29 H29 Au B Cl Mn O2 P
• SMILES: [Mn]12345(C#[O])(C#[O])([Au]([P](c6ccccc6)(c6ccccc6)c6ccccc6)[B]1(Cl)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 11.0391 ± 0.0005 Å
• b: 16.4909 ± 0.0008 Å
• c: 30.2689 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5510.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No