Information card for entry 7236605

Structure parameters

• Formula: C84 H70 N8 Ni O4
• Calculated formula: C84 H70 N8 Ni O4
• Title of publication: Porphyrin based push‒pull conjugates as donors for solution-processed bulk heterojunction solar cells: a case of metal-dependent power conversion efficiency
• Authors of publication: Mishra, Ruchika; Regar, Ramprasad; Singhal, Rahul; Panini, Piyush; Sharma, Ganesh D.; Sankar, Jeyaraman
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 30
• Pages of publication: 15529
• a: 17.631 ± 0.002 Å
• b: 18.379 ± 0.003 Å
• c: 24.555 ± 0.003 Å
• α: 91.948 ± 0.006°
• β: 98.062 ± 0.006°
• γ: 114.16 ± 0.005°
• Cell volume: 7151.2 ± 1.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.3073
• Residual factor for significantly intense reflections: 0.1506
• Weighted residual factors for significantly intense reflections: 0.3299
• Weighted residual factors for all reflections included in the refinement: 0.3937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No