Information card for entry 7118869

Structure parameters

• Formula: C70 H24 Cu2 F30 N6 O4 S2
• Calculated formula: C70 H24 Cu2 F30 N6 O4 S2
• Title of publication: Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.
• Authors of publication: Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5148 - 5151
• a: 11.1752 ± 0.0005 Å
• b: 16.3892 ± 0.0008 Å
• c: 37.51 ± 0.003 Å
• α: 90°
• β: 93.375 ± 0.001°
• γ: 90°
• Cell volume: 6858.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No