Information card for entry 7705730

Structure parameters

• Formula: C15 H18 Bi2 I9 N3
• Calculated formula: C15 H18 Bi2 I9 N3
• 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: 14.6088 ± 0.0006 Å
• b: 23.6348 ± 0.0009 Å
• c: 9.9053 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3420.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No