Information card for entry 7115048

Structure parameters

• Formula: C48 H52 I6 N4
• Calculated formula: C48 I6 N4
• SMILES: I[I-]I.I[I-]I.N(c1ccc([C+]([C@H]([C@@H]([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C.I[I-]I.I[I-]I.N(c1ccc([C+]([C@@H]([C@H]([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C
• Title of publication: Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes
• Authors of publication: Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1574
• a: 10.054 ± 0.002 Å
• b: 17.393 ± 0.003 Å
• c: 28.88 ± 0.005 Å
• α: 90°
• β: 92.97 ± 0.009°
• γ: 90°
• Cell volume: 5043.4 ± 1.6 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.501
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No