Information card for entry 7705731

Structure parameters

• Formula: C36 H64 Bi6 I22 N4 O8
• Calculated formula: C36 H64 Bi6 I22 N4 O8
• Title of publication: (HPy)₂(Py)CuBi₃I₁₂, a low bandgap metal halide photoconductor.
• Authors of publication: Möbs, Jakob; Gerhard, Marina; Heine, Johanna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14397 - 14400
• a: 19.4579 ± 0.0008 Å
• b: 19.9643 ± 0.0006 Å
• c: 12.4327 ± 0.0005 Å
• α: 90°
• β: 107.255 ± 0.003°
• γ: 90°
• Cell volume: 4612.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0471
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No