Information card for entry 7100502

Structure parameters

• Formula: C64.5 H80 N6 O6.5 S2 Zn
• Calculated formula: C64.5087 H58 N6 O6.842 S2 Zn
• Title of publication: Synthesis and crystal structure of a push-pull quinoidal porphyrin: a nanoporous framework assembled from cyclic trimer aggregates
• Authors of publication: H. L. Anderson; W. Clegg; Paul Fleitz; Kiet A. Nguyen; Ruth Pachter; Joy E. Rogers; M.J. Smith
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 20.792 ± 0.003 Å
• b: 24.707 ± 0.003 Å
• c: 25.188 ± 0.003 Å
• α: 63.913 ± 0.002°
• β: 84.532 ± 0.002°
• γ: 81.473 ± 0.002°
• Cell volume: 11486 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No