Information card for entry 4333574

Structure parameters

• Common name: Au2(dpp-pentane)2I2.3CHCl3
• Formula: C61 H62 Au2 Cl9 I2 P4
• Calculated formula: C61 H62 Au2 Cl9 I2 P4
• 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: 10.821 ± 0.002 Å
• b: 20.111 ± 0.004 Å
• c: 15.845 ± 0.003 Å
• α: 90°
• β: 94.334 ± 0.001°
• γ: 90°
• Cell volume: 3438.3 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No