Information card for entry 7057235

Structure parameters

• Formula: C44 H41 N5 O
• Calculated formula: C44 H41 N5 O
• 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: 23.5417 ± 0.0012 Å
• b: 16.612 ± 0.0008 Å
• c: 9.1741 ± 0.0005 Å
• α: 90°
• β: 100.111 ± 0.002°
• γ: 90°
• Cell volume: 3532 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No