Information card for entry 7049114

Structure parameters

• Formula: C32 H20 N4 Ni O2
• Calculated formula: C32 H20 N4 Ni 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: 9.8321 ± 0.0003 Å
• b: 10.7832 ± 0.0003 Å
• c: 13.3416 ± 0.0003 Å
• α: 103.169 ± 0.001°
• β: 102.624 ± 0.001°
• γ: 111.822 ± 0.001°
• Cell volume: 1204.51 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No