Information card for entry 4505571

Structure parameters

• Chemical name: poly-{[diethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]-water (1/2)}
• Formula: C16 H4 In N5 O10
• Calculated formula: C16 H4 In N5 O10
• Title of publication: Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures
• Authors of publication: Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1501
• a: 10.828 ± 0.001 Å
• b: 17.088 ± 0.001 Å
• c: 11.467 ± 0.001 Å
• α: 90°
• β: 106.84 ± 0.01°
• γ: 90°
• Cell volume: 2030.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No