Information card for entry 1515220

Structure parameters

• Formula: C236 H235 Br2 Cl3 N16 O8 Zn4
• Calculated formula: C236 H253 Br2 Cl3 N16 O8 Zn4
• 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: 15.4354 ± 0.0008 Å
• b: 16.6155 ± 0.0009 Å
• c: 21.9618 ± 0.0012 Å
• α: 98.915 ± 0.001°
• β: 98.974 ± 0.001°
• γ: 93.126 ± 0.001°
• Cell volume: 5478.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1354
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0451
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No