Information card for entry 4105933

Structure parameters

• Formula: C18 H12 Br4 N6 S0 Zn2
• Calculated formula: C18 H12 Br4 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: 17.339 ± 0.006 Å
• b: 14.752 ± 0.006 Å
• c: 18.507 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4734 ± 3 ų
• Cell temperature: 85 ± 1 K
• Ambient diffraction temperature: 85 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No