Information card for entry 7204040

Structure parameters

• Formula: C6 H8 I4 N4 Sn
• Calculated formula: C6 H6 I4 N4 Sn
• SMILES: c1([nH]cc[nH+]1)c1[nH]cc[nH+]1.[Sn](I)(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: 8.7238 ± 0.0008 Å
• b: 9.5695 ± 0.0009 Å
• c: 19.288 ± 0.002 Å
• α: 90°
• β: 100.18 ± 0.002°
• γ: 90°
• Cell volume: 1584.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0543
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No