Information card for entry 4349031

Structure parameters

• Common name: [ArICOOMe-BIAN]2Cu(PF6)
• Formula: C58 H40 Cl4 Cu F6 I4 N4 O8 P
• Calculated formula: C58 H40 Cl4 Cu F6 I4 N4 O8 P
• 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: 11.844 ± 0.004 Å
• b: 13.707 ± 0.005 Å
• c: 20.634 ± 0.008 Å
• α: 94.692 ± 0.007°
• β: 97.346 ± 0.007°
• γ: 113.076 ± 0.005°
• Cell volume: 3024.4 ± 1.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No