Information card for entry 7215418

Structure parameters

• Formula: C17 H9 Cl3 N2 O3 Zn
• Calculated formula: C17 H9 Cl3 N2 O3 Zn
• 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: 8.2531 ± 0.0007 Å
• b: 10.6582 ± 0.001 Å
• c: 12.4388 ± 0.0011 Å
• α: 73.757 ± 0.002°
• β: 73.122 ± 0.002°
• γ: 76.445 ± 0.002°
• Cell volume: 991.16 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No