Information card for entry 7057236

Structure parameters

• Formula: C33 H24 N4 Ni O2
• Calculated formula: C33 H24 N4 Ni O2
• 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: 10.4334 ± 0.0004 Å
• b: 11.4214 ± 0.0004 Å
• c: 12.7442 ± 0.0005 Å
• α: 64.165 ± 0.002°
• β: 78.961 ± 0.002°
• γ: 71.119 ± 0.002°
• Cell volume: 1291.05 ± 0.09 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: 0.1298
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No