Information card for entry 2219306

Structure parameters

• Chemical name: 4,4'-[8b,8c-bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetrahydro- 1H,4H-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene- 2,6-diyl]dipyridinium bis(tetrafluoridoborate)
• Formula: C26 H32 B2 F8 N8 O6
• Calculated formula: C26 H32 B2 F8 N8 O6
• Title of publication: 4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetrahydro-1<i>H</i>,4<i>H</i>-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-2,6-diyl]dipyridinium bis(tetrafluoridoborate)
• Authors of publication: Qin, Shu-Qi; Pang, Tao; Li, Yi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1689
• a: 17.9399 ± 0.0017 Å
• b: 7.9673 ± 0.0008 Å
• c: 22.58 ± 0.002 Å
• α: 90°
• β: 93.089 ± 0.002°
• γ: 90°
• Cell volume: 3222.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes