Information card for entry 7203968

Structure parameters

• Chemical name: 4-bis(5-methyl-4',5'-ethylenedithiotetrathiafulvalenyl) perchlorate
• Formula: C18 H14 Cl O4 S12
• Calculated formula: C18 H14 Cl O4 S12
• Title of publication: New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies
• Authors of publication: John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1273
• a: 11.074 ± 0.003 Å
• b: 24.139 ± 0.007 Å
• c: 4.876 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1737
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections: 0.4067
• Weighted residual factors for significantly intense reflections: 0.3278
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No