Information card for entry 7057237

Structure parameters

• Formula: C76 H54 N10 O2 Zn2
• Calculated formula: C76 H54 N10 O2 Zn2
• Title of publication: Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates
• Authors of publication: Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 6997
• a: 21.6164 ± 0.0017 Å
• b: 9.6459 ± 0.0005 Å
• c: 33.206 ± 0.003 Å
• α: 90°
• β: 93.087 ± 0.001°
• γ: 90°
• Cell volume: 6913.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.217
• 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: No
• Has Fobs: No