Information card for entry 4516000

Structure parameters

• Formula: C42 H60 Au B2 Cl P2
• Calculated formula: C42 H60 Au B2 Cl P2
• SMILES: Cl[B](C[P]([Au][P](CB(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu₂PCH₂BPh₂.
• Authors of publication: Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 3945 - 3951
• a: 28.3351 ± 0.0008 Å
• b: 11.3935 ± 0.0003 Å
• c: 27.095 ± 0.0007 Å
• α: 90°
• β: 112.237 ± 0.003°
• γ: 90°
• Cell volume: 8096.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No