Information card for entry 7204106

Structure parameters

• Formula: C17 H14.5 Br2 Cl2.5 Ga S12
• Calculated formula: C17 H12 Br2.921 Cl0.5 Ga S12
• Title of publication: Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition
• Authors of publication: Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2125
• a: 14.136 ± 0.002 Å
• b: 14.361 ± 0.003 Å
• c: 8.571 ± 0.001 Å
• α: 105.88 ± 0.01°
• β: 93.89 ± 0.01°
• γ: 76.65 ± 0.01°
• Cell volume: 1628.3 ± 0.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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: 0.0737
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections: 5.095
• Goodness-of-fit parameter for all reflections included in the refinement: 5.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No