Information card for entry 4320996

Structure parameters

• Formula: C15 H14 Cl1.25 O S12
• Calculated formula: C15 H14 Cl1.25 O S12
• Title of publication: Molecular Charge-Transfer Salt of BEDT-TTF [Bis(ethylenedithio)tetrathiafulvalene] with the Oxalate-Bridged Dimeric Anion [Fe2(C2O4)5]4-
• Authors of publication: Samina Rashid; Scott S. Turner; Peter Day; Mark E. Light; Michael B. Hursthouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2426 - 2428
• a: 7.5088 ± 0.0015 Å
• b: 10.242 ± 0.002 Å
• c: 15.402 ± 0.003 Å
• α: 86.22 ± 0.03°
• β: 81.85 ± 0.03°
• γ: 81.73 ± 0.03°
• Cell volume: 1159.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.2584
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 2.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No