Information card for entry 2210155

Structure parameters

• Chemical name: Dichlorobis[(diphenylphosphinoethyl-κP)diphenylphosphine oxide]digold(I)(Au—Au) monohydrate
• Formula: C52 H50 Au2 Cl2 O3 P4
• Calculated formula: C52 H50 Au2 Cl2 O3 P4
• SMILES: [Au]([Au](Cl)[P](CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[P](CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Dichlorobis[(diphenylphosphinoethyl-κ<i>P</i>)diphenylphosphine oxide]digold(I)(<i>Au</i>—<i>Au</i>) monohydrate
• Authors of publication: Zai-Lai Xie; Zhong-Ning Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2277 - m2278
• a: 11.451 ± 0.0003 Å
• b: 12.9718 ± 0.0004 Å
• c: 18.6903 ± 0.0005 Å
• α: 86.052 ± 0.007°
• β: 77.064 ± 0.006°
• γ: 65.352 ± 0.004°
• Cell volume: 2458.32 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes