Information card for entry 4349032

Structure parameters

• Common name: [ArICOOMe-BIAN]2Cu(PF)6
• Formula: C82 H75 Cu F6 I4 N4 O11 P
• Calculated formula: C82 H75 Cu F6 I4 N4 O11 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: 15.3314 ± 0.0009 Å
• b: 15.4957 ± 0.0009 Å
• c: 18.5347 ± 0.001 Å
• α: 98.846 ± 0.004°
• β: 110.128 ± 0.003°
• γ: 98.427 ± 0.004°
• Cell volume: 3989.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1914
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No