Information card for entry 2204974

Structure parameters

• Chemical name: [1-(diphenylphosphino)-4-(diphenylphosphinoyl)butane-κP^1^]idodgold(I) monohydrate
• Formula: C28 H30 Au I O2 P2
• Calculated formula: C28 H30 Au I O2 P2
• SMILES: [Au](I)[P](CCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Aurophilic and hydrogen-bonding interactions in [1-(diphenylphosphino)-4-(diphenylphosphinoyl)butane-κ<i>P</i>^1^]iodogold(I) monohydrate
• Authors of publication: Michael L. Williams; Deborah L. Slade; Sue E. Boyd; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m30 - m32
• a: 34.57 ± 0.02 Å
• b: 14.686 ± 0.007 Å
• c: 11.74 ± 0.004 Å
• α: 90°
• β: 108.67 ± 0.04°
• γ: 90°
• Cell volume: 5647 ± 5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0596
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No