Information card for entry 7049115

Structure parameters

• Formula: C33 H23 Cl3 N4 O2
• Calculated formula: C33 H23 Cl3 N4 O2
• Title of publication: Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.
• Authors of publication: Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 4105 - 4108
• a: 11.4063 ± 0.0004 Å
• b: 9.7778 ± 0.0003 Å
• c: 13.4576 ± 0.0004 Å
• α: 90°
• β: 94.785 ± 0.001°
• γ: 90°
• Cell volume: 1495.68 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No