Information card for entry 2003833

Structure parameters

• Chemical name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1)
• Formula: C20 H20 B F4 S12
• Calculated formula: C20 H16 B F4 S12
• Title of publication: Organic Metal (DIMET)~2~BF~4~
• Authors of publication: Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1656 - 1658
• a: 6.999 ± 0.001 Å
• b: 7.787 ± 0.002 Å
• c: 26.933 ± 0.003 Å
• α: 91.68 ± 0.02°
• β: 89.54 ± 0.01°
• γ: 105.37 ± 0.02°
• Cell volume: 1414.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 4.38
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No