Information card for entry 4346216

Structure parameters

• Formula: C39 H39 N3 O17 Zn3
• Calculated formula: C36 H30 N2 O15 Zn3
• Title of publication: Photo- and thermochromic and adsorption properties of porous coordination polymers based on bipyridinium carboxylate ligands.
• Authors of publication: Toma, Oksana; Mercier, Nicolas; Allain, Magali; Kassiba, Abdel Adi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 8923 - 8930
• a: 11.497 ± 0.001 Å
• b: 33.542 ± 0.003 Å
• c: 12.106 ± 0.001 Å
• α: 90°
• β: 116.84 ± 0.01°
• γ: 90°
• Cell volume: 4165.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No