Information card for entry 1557238

Structure parameters

• Formula: C29 H36 Au B10 Cl2 F6 P2 Sb
• Calculated formula: C29 H36 Au B10 Cl2 F6 P2 Sb
• SMILES: [CH2]1=[CH2][Au]21[P]([C]1345[C]678([P]2(c2ccccc2)c2ccccc2)[BH]291[BH]1%104[BH]4%115[BH]536[BH]368[BH]872[BH]291[BH]1%10%11[BH]453[BH]6821)(c1ccccc1)c1ccccc1.F[Sb](F)(F)([F-])(F)F.ClCCl
• Title of publication: Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
• Authors of publication: Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2750 - 2758
• a: 10.0221 ± 0.0004 Å
• b: 13.3021 ± 0.0005 Å
• c: 14.7578 ± 0.0006 Å
• α: 90°
• β: 95.633 ± 0.002°
• γ: 90°
• Cell volume: 1957.94 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No