Information card for entry 1515216

Structure parameters

• Formula: C122 H124 Br2 Cl12 N8 O4 Zn2
• Calculated formula: C122 H124 Br2 Cl12 N8 O4 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: 10.337 ± 0.002 Å
• b: 15.431 ± 0.003 Å
• c: 19.611 ± 0.004 Å
• α: 82.82 ± 0.03°
• β: 84.35 ± 0.03°
• γ: 82.95 ± 0.03°
• Cell volume: 3069.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections: 0.1725
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No