Information card for entry 7209509

Structure parameters

• Common name: diimidazolatozinc(ii)
• Chemical name: diimidazolatozinc(II)
• Formula: C17 H17 N9 Zn2
• Calculated formula: C17 H17 N9 Zn2
• Title of publication: Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory
• Authors of publication: Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4036
• a: 18.5049 ± 0.0001 Å
• b: 23.8735 ± 0.0002 Å
• c: 9.3156 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4115.42 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No