Information card for entry 2010782

Structure parameters

• Chemical name: pentachloropyridylbismuthate(III) pyridinium
• Formula: C15 H17 Bi Cl5 N3
• Calculated formula: C15 H17 Bi Cl5 N3
• SMILES: c1[nH+]cccc1.[Bi](Cl)(Cl)(Cl)([n]1ccccc1)(Cl)Cl.c1cccc[nH+]1
• Title of publication: Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)
• Authors of publication: James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 427 - 429
• a: 18.699 ± 0.002 Å
• b: 14.889 ± 0.003 Å
• c: 7.408 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No