Information card for entry 7219556

Structure parameters

• Formula: C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8
• Calculated formula: C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8
• Title of publication: Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)
• Authors of publication: Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 2783
• a: 5.3536 ± 0.0005 Å
• b: 10.1811 ± 0.0009 Å
• c: 17.2836 ± 0.0015 Å
• α: 95.641 ± 0.004°
• β: 97.596 ± 0.005°
• γ: 90.246 ± 0.006°
• Cell volume: 929.12 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2085
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.587
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No