Information card for entry 7103534

Structure parameters

• Formula: C6 H14 Bi2 I8 N2 O4 S2
• Calculated formula: C6 H14 Bi2 I8 N2 O4 S2
• Title of publication: Reversible dynamic isomerism change in the solid state, from Bi(4)I(16) clusters to BiI(4) 1D chains in l-cystine based hybrids: templating effect of cations in iodobismuthate network formation.
• Authors of publication: Bi, Wenhua; Mercier, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5743 - 5745
• a: 12.317 ± 0.003 Å
• b: 7.763 ± 0.002 Å
• c: 15.223 ± 0.003 Å
• α: 90°
• β: 93.07 ± 0.03°
• γ: 90°
• Cell volume: 1453.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.082
• 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