Information card for entry 7704087

Structure parameters

• Formula: C6 H36 Bi Cl3 I6 N6
• Calculated formula: C6 H36 Bi Cl3 I6 N6
• 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: 18.94284 ± 0.00014 Å
• b: 18.83413 ± 0.00012 Å
• c: 9.13917 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.6 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6935 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No