Information card for entry 4346215

Structure parameters

• Formula: C76 H64 N6 O28 Zn5
• Calculated formula: C68 H42 N4 O24 Zn5
• 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: 9.8071 ± 0.0005 Å
• b: 11.615 ± 0.001 Å
• c: 16.544 ± 0.002 Å
• α: 103.754 ± 0.008°
• β: 104.537 ± 0.005°
• γ: 95.907 ± 0.006°
• Cell volume: 1745.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No