Information card for entry 2230915

Structure parameters

• Chemical name: 6-Phenyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl perchlorate
• Formula: C20 H17 Bi Cl N O4
• Calculated formula: C20 H17 Bi Cl N O4
• SMILES: [Bi]12([N](Cc3c1cccc3)(Cc1c2cccc1)c1ccccc1)OCl(=O)(=O)=O
• Title of publication: 6-Phenyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl perchlorate
• Authors of publication: Zhang, Xiao-Wen; Fan, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m875
• a: 12.0635 ± 0.001 Å
• b: 14.0755 ± 0.0012 Å
• c: 11.5121 ± 0.001 Å
• α: 90°
• β: 107.59 ± 0.002°
• γ: 90°
• Cell volume: 1863.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes