Information card for entry 4511059

Structure parameters

• Formula: C36 H56 Bi4 Cl16 N4
• Calculated formula: C36 H56 Bi4 Cl16 N4
• SMILES: [Bi]12([Cl]3[Bi]4([Cl][Bi]5([Cl]4[Bi]3([Cl]2)([Cl]5)(Cl)Cl)(Cl)(Cl)Cl)([Cl]1)(Cl)Cl)(Cl)(Cl)Cl.[n+]1(ccccc1)CCCC.[n+]1(ccccc1)CCCC.[n+]1(ccccc1)CCCC.[n+]1(ccccc1)CCCC
• Title of publication: Synthesis and Structural Characterization of [bpyr]4[V4O4Cl12] and [bpyr]4[Bi4Cl16] grown in Ionic Liquid [bpyr][AlCl4] (bpyr = 1-Butylpyridinium)
• Authors of publication: Mahjoor, Parisa; Latturner, Susan E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1385
• a: 10.9179 ± 0.0019 Å
• b: 11.249 ± 0.002 Å
• c: 13.304 ± 0.002 Å
• α: 109.46 ± 0.003°
• β: 94.883 ± 0.003°
• γ: 101.055 ± 0.003°
• Cell volume: 1492.3 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No