Information card for entry 2226505

Structure parameters

• Chemical name: 4,4'-[(2,7-Dibromofluorene-9,9-diyl)dimethylene]dipyridinium bis(perchlorate)
• Formula: C25 H20 Br2 Cl2 N2 O8
• Calculated formula: C25 H20 Br2 Cl2 N2 O8
• SMILES: [O-]Cl(=O)(=O)=O.Brc1ccc2c3ccc(cc3C(c2c1)(Cc1cc[nH+]cc1)Cc1cc[nH+]cc1)Br.[O-]Cl(=O)(=O)=O
• Title of publication: 4,4'-[(2,7-Dibromofluorene-9,9-diyl)dimethylene]dipyridinium bis(perchlorate)
• Authors of publication: Xuan, Zongwei; Zhao, Shanshan; Lu, Lude; Wang, Xin; Yang, Xujie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1718
• a: 15.605 ± 0.003 Å
• b: 11.267 ± 0.002 Å
• c: 16.318 ± 0.003 Å
• α: 90°
• β: 117.6 ± 0.03°
• γ: 90°
• Cell volume: 2542.6 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes