Information card for entry 4349030

Structure parameters

• Common name: ArICOOMe-BIAN
• Formula: C28 H18 I2 N2 O4
• Calculated formula: C28 H18 I2 N2 O4
• SMILES: C1(/C(c2cccc3cccc1c23)=N/c1c(cc(cc1)C(=O)OC)I)=N/c1c(cc(cc1)C(=O)OC)I
• Title of publication: Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications
• Authors of publication: Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 651
• a: 9.8551 ± 0.0005 Å
• b: 10.0192 ± 0.0006 Å
• c: 14.2431 ± 0.0007 Å
• α: 87.11 ± 0.002°
• β: 78.367 ± 0.002°
• γ: 65.0268 ± 0.0019°
• Cell volume: 1247.74 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No