Information card for entry 4105934

Structure parameters

• Formula: C18 H12 Cl4 N6 Zn2
• Calculated formula: C18 H12 Cl4 N6 Zn2
• Title of publication: Dramatic Structural Rearrangements in Porous Coordination Networks
• Authors of publication: Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5853 - 5860
• a: 11.759 ± 0.004 Å
• b: 9.403 ± 0.003 Å
• c: 19.364 ± 0.007 Å
• α: 90°
• β: 100.515 ± 0.004°
• γ: 90°
• Cell volume: 2105.1 ± 1.2 ų
• Cell temperature: 85 ± 1 K
• Ambient diffraction temperature: 85 ± 1 K
• Number of distinct elements: 5
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No