Information card for entry 4505572

Structure parameters

• Chemical name: poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]
• Formula: C14 H12 In N5 O8
• Calculated formula: C13.3267 H4 In N4.66 O8
• 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: 15.38 ± 0.001 Å
• b: 15.38 ± 0.001 Å
• c: 52.911 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10839 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No