Information card for entry 7034125

Structure parameters

• Formula: C28 H22 I2 N4 O4
• Calculated formula: C28 H22 I2 N4 O4
• SMILES: C([n+]1ccc(cc1)N1C(=O)c2c3c4c(C(=O)N(c5cc[n+](CC)cc5)C(=O)c4cc2)ccc3C1=O)C.[I-].[I-]
• Title of publication: A panchromatic hybrid crystal of iodoplumbate nanowires and J-aggregated naphthalene diimides with long-lived charge-separated states.
• Authors of publication: Liu, Jian-Jun; Guan, Ying-Fang; Jiao, Chen; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 5957 - 5960
• a: 12.006 ± 0.002 Å
• b: 7.4721 ± 0.0015 Å
• c: 16.822 ± 0.006 Å
• α: 90°
• β: 117.21 ± 0.02°
• γ: 90°
• Cell volume: 1342.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No