Information card for entry 4346217

Structure parameters

• Formula: C139 H121 N11 O52 Zn10
• Calculated formula: C130 H94 N8 O48 Zn10
• 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: 11.092 ± 0.001 Å
• b: 12.199 ± 0.002 Å
• c: 28.767 ± 0.005 Å
• α: 97.64 ± 0.01°
• β: 92.01 ± 0.01°
• γ: 115.936 ± 0.009°
• Cell volume: 3450.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No