Information card for entry 2207167

Structure parameters

• Chemical name: cis-4-[2-4-Chlorophenyl)ethenyl]-1-methylpyridium tetraphenylborate
• Formula: C38 H33 B Cl N
• Calculated formula: C38 H33 B Cl N
• SMILES: Clc1ccc(/C=C\c2cc[n+](cc2)C)cc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 4-[2-(4-Chlorophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate
• Authors of publication: Jin, Dan; Zhang, Feng; Zhang, Yong; Zhang, De-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3618 - o3620
• a: 33.358 ± 0.003 Å
• b: 37.815 ± 0.004 Å
• c: 9.657 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12182 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes