Information card for entry 7116844

Structure parameters

• Formula: C205 H172 N24 O4 S12 Zn6
• Calculated formula: C205 H160 N24 O4 S12 Zn6
• Title of publication: On Zn(II) 2,2'-bisdipyrrin circular helicates
• Authors of publication: Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5906
• a: 13.3649 ± 0.0005 Å
• b: 18.2896 ± 0.0006 Å
• c: 18.8109 ± 0.0007 Å
• α: 96.448 ± 0.002°
• β: 99.538 ± 0.002°
• γ: 94.693 ± 0.002°
• Cell volume: 4482.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No