Information card for entry 1515221

Structure parameters

• Formula: C172 H182 N16 Zn2
• Calculated formula: C172 H182 N16 Zn2
• Title of publication: Engineering conjugation in para-phenylene-bridged porphyrin tapes
• Authors of publication: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 1541
• a: 12.428 ± 0.004 Å
• b: 14.323 ± 0.005 Å
• c: 21.854 ± 0.008 Å
• α: 80.953 ± 0.008°
• β: 87.36 ± 0.011°
• γ: 69.226 ± 0.011°
• Cell volume: 3592 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections: 0.204
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0002
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No