Information card for entry 7051839

Structure parameters

• Formula: C56 H70 Cl2 N6 O10
• Calculated formula: C56 H70 Cl2 N6 O10
• Title of publication: Oxidation-induced control of self-assembly using a bis-dipyrromethyl substituted phenanthroline building block
• Authors of publication: Plitt, Patrick; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 777
• a: 11.0307 ± 0.0002 Å
• b: 15.0724 ± 0.0003 Å
• c: 18.4602 ± 0.0004 Å
• α: 99.633 ± 0.002°
• β: 99.191 ± 0.002°
• γ: 111.289 ± 0.002°
• Cell volume: 2737 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No