Information card for entry 1514836

Structure parameters

• Common name: beta-(Au2(dppe)2I2).2acetone (green emission)
• Formula: C58 H60 Au2 I2 O2 P4
• Calculated formula: C58 H60 Au2 I2 O2 P4
• SMILES: [Au]1(I)[P](c2ccccc2)(c2ccccc2)CC[P]([Au](I)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C.O=C(C)C
• Title of publication: Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes
• Authors of publication: Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 311
• a: 11.83 ± 0.0003 Å
• b: 11.9725 ± 0.0003 Å
• c: 12.3591 ± 0.0004 Å
• α: 65.098 ± 0.002°
• β: 69.838 ± 0.002°
• γ: 65.309 ± 0.002°
• Cell volume: 1411.99 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0216
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No