Information card for entry 4113559

Structure parameters

• Common name: (EDT-TTF-I2)2(Pb2/3Ag1/3I2)3
• Formula: C8 H4 Ag0.178 I5 Pb0.797 S6
• Calculated formula: C8 Ag0.26 I5 Pb1.198 S6
• Title of publication: Single Crystalline Commensurate Metallic Assemblages of π-slabs and CdI2-Type Layers: Synthesis and Properties of β-(EDT-TTF-I2)2[Pb5/61/6I2]3 and β-(EDT-TTF-I2)2[Pb2/3+xAg1/3-2xxI2]3, x= 0.05
• Authors of publication: Thomas Devic; Michel Evain; Yves Moëlo; Enric Canadell; Pascale Auban-Senzier; Marc Fourmigué; Patrick Batail
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3295 - 3301
• a: 7.7744 ± 0.0008 Å
• b: 7.9193 ± 0.0008 Å
• c: 19.834 ± 0.002 Å
• α: 87.189 ± 0.012°
• β: 83.534 ± 0.012°
• γ: 61.602 ± 0.011°
• Cell volume: 1067.3 ± 0.2 ų
• Cell temperature: 293 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: 0.2059
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes