Information card for entry 7204039

Structure parameters

• Formula: C6 H8 I4 N4 Pb
• Calculated formula: C6 H8 I4 N4 Pb
• SMILES: c1([nH]cc[nH+]1)c1[nH]cc[nH+]1.I[Pb](I)([I-])[I-]
• Title of publication: Synthesis and crystal structure of new organic-based layered perovskites with 2,2'-biimidazolium cations
• Authors of publication: Tang, Zhongjia; Guan, Jun; Guloy, Arnold M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 479
• a: 8.7318 ± 0.0007 Å
• b: 9.5299 ± 0.0008 Å
• c: 19.3682 ± 0.0016 Å
• α: 90°
• β: 99.891 ± 0.001°
• γ: 90°
• Cell volume: 1587.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No