Information card for entry 4333572

Structure parameters

• Common name: Au2(dpp-propane)2I2
• Formula: C54 H52 Au2 I2 P4
• Calculated formula: C54 H52 Au2 I2 P4
• SMILES: c1(ccccc1)[P]1([Au]([P](CCC[P](c2ccccc2)(c2ccccc2)[Au](I)[P](CCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)I)c1ccccc1
• Title of publication: Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)
• Authors of publication: Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 823 - 831
• a: 10.527 ± 0.005 Å
• b: 10.853 ± 0.005 Å
• c: 12.979 ± 0.005 Å
• α: 91.34 ± 0.005°
• β: 113.602 ± 0.005°
• γ: 111.965 ± 0.005°
• Cell volume: 1233.7 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No