Information card for entry 7219568

Structure parameters

• Common name: Zinc-herringbone
• Formula: C21 H25 I N6 O14 Zn2
• Calculated formula: C21 H25 I N6 O14 Zn2
• Title of publication: Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide
• Authors of publication: Tripathi, Sarita; Anantharaman, Ganapathi
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 2754
• a: 22.552 ± 0.005 Å
• b: 10.123 ± 0.002 Å
• c: 13.594 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No