Information card for entry 7215411

Structure parameters

• Formula: C38 H26 Cl6 N4 O6 Zn
• Calculated formula: C38 H26 Cl6 N4 O6 Zn
• SMILES: c1(c(c(cc(c1O)Cl)Cl)Cl)C(=O)O[Zn]([n]1ccc(cc1)/C=C/c1ccncc1)([n]1ccc(cc1)/C=C/c1ccncc1)OC(=O)c1c(c(cc(c1O)Cl)Cl)Cl
• Title of publication: Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction
• Authors of publication: Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6136
• a: 24.303 ± 0.01 Å
• b: 10.137 ± 0.004 Å
• c: 18.744 ± 0.013 Å
• α: 90°
• β: 125.506 ± 0.004°
• γ: 90°
• Cell volume: 3759 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No