Information card for entry 7215416

Structure parameters

• Formula: C54 H35 Cl12 N4 O12 Zn2
• Calculated formula: C54 H35 Cl12 N4 O12 Zn2
• 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: 11.8373 ± 0.0008 Å
• b: 13.5119 ± 0.0009 Å
• c: 18.5484 ± 0.0013 Å
• α: 90°
• β: 106.514 ± 0.002°
• γ: 90°
• Cell volume: 2844.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No