Information card for entry 4346218

Structure parameters

• Formula: C124 H106 N8 O54 Zn10
• Calculated formula: C124 H86 N8 O44 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: 11.478 ± 0.001 Å
• b: 12.3775 ± 0.0008 Å
• c: 25.794 ± 0.003 Å
• α: 80.25 ± 0.009°
• β: 88.094 ± 0.009°
• γ: 65.252 ± 0.009°
• Cell volume: 3277 ± 0.6 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: 0.1035
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1768
• 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