Information card for entry 7215417

Structure parameters

• Formula: C52 H30 Cl12 N4 O14 Zn2
• Calculated formula: C52 H30 Cl12 N4 O14 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: 13.6683 ± 0.0005 Å
• b: 13.6285 ± 0.0005 Å
• c: 15.1486 ± 0.0006 Å
• α: 90°
• β: 101.217 ± 0.001°
• γ: 90°
• Cell volume: 2767.95 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No