Information card for entry 7023041

Structure parameters

• Formula: C39.59 H31.71 Bi Cl3 F9 N7.8 O12.05 S3
• Calculated formula: C39.594 H31.711 Bi Cl3 F9 N7.797 O12.045 S3
• Title of publication: Reversible multicomponent self-assembly mediated by bismuth ions.
• Authors of publication: Johnson, Amber M.; Young, Michael C.; Hooley, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8394 - 8401
• a: 10.5697 ± 0.0003 Å
• b: 13.7043 ± 0.0004 Å
• c: 20.0249 ± 0.0006 Å
• α: 98.057 ± 0.001°
• β: 92.112 ± 0.001°
• γ: 96.452 ± 0.001°
• Cell volume: 2849.71 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No