Information card for entry 1564288

Structure parameters

• Chemical name: Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')neodynium(III)]
• Formula: C24 H17 N6 Nd O7
• Calculated formula: C24 H17 N6 Nd O7
• Title of publication: Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties
• Authors of publication: Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119740
• a: 8.8931 ± 0.0001 Å
• b: 11.7509 ± 0.0002 Å
• c: 12.2255 ± 0.0002 Å
• α: 104.309 ± 0.001°
• β: 97.118 ± 0.001°
• γ: 109.421 ± 0.001°
• Cell volume: 1137.44 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0206
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No