Information card for entry 7704086

Structure parameters

• Formula: C3 H18 Bi2 I9 N3
• Calculated formula: C3 H18 Bi2 I9 N3
• Title of publication: Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.
• Authors of publication: Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5815 - 5822
• a: 8.5731 ± 0.0001 Å
• b: 8.5731 ± 0.0001 Å
• c: 21.7479 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1384.28 ± 0.03 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.6804 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No