Information card for entry 7034124

Structure parameters

• Formula: C24 H16 I2 N4 O5
• Calculated formula: C24 H16 I2 N4 O5
• SMILES: c1[nH+]ccc(N2C(=O)c3c4c5c(C(=O)N(c6cc[nH+]cc6)C(=O)c5cc3)ccc4C2=O)c1.[I-].O.[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: 15.786 ± 0.003 Å
• b: 8.5029 ± 0.0017 Å
• c: 17.617 ± 0.004 Å
• α: 90°
• β: 102.38 ± 0.03°
• γ: 90°
• Cell volume: 2309.7 ± 0.9 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: 0.0319
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No