Information card for entry 2004719

Structure parameters

• Common name: 2:1 complex (N-cyclopentyl-4-phenylpyridinium bromide : 4-phenylpyridine)
• Formula: C43 H48 Br3 N3 O
• Calculated formula: C43 H47 Br3 N3 O
• Title of publication: An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex
• Authors of publication: Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1033 - 1036
• a: 14.692 ± 0.002 Å
• b: 13.88 ± 0.001 Å
• c: 9.759 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1990.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.0997
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No